Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4374402

CN(C)CCC(Cl)c1ccccc1.Cl

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 6/20 0.64
HRH1 known ✓ P35367 6/20 0.64
SLC6A4 known ✓ P31645 6/20 0.49
SLC6A2 known ✓ P23975 5/20 0.49
CHRM2 known ✓ P08172 4/20 0.49
SCN1A known ✓ P35498 3/20 0.49
SCN2A known ✓ Q99250 3/20 0.49
SCN3A known ✓ Q9NY46 3/20 0.49
SLC6A3 known ✓ Q01959 4/20 0.47
CHRM5 known ✓ P08912 3/20 0.47
CHRM1 known ✓ P11229 3/20 0.47
ADRA2B known ✓ P18089 3/20 0.47
HRH2 known ✓ P25021 3/20 0.47
KCNH2 known ✓ Q12809 3/20 0.47
CHRM4 known ✓ P08173 2/20 0.47
ADRA2A known ✓ P08913 2/20 0.47
CHRM3 known ✓ P20309 2/20 0.47
HTR2C known ✓ P28335 2/20 0.47
ADRA1A known ✓ P35348 2/20 0.47
OPRK1 known ✓ P41145 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4301966 0.98 HTR2A (0.67) HTR2AHRH1LMNAPMP22TDP1
SCHEMBL7326678 0.98 HTR2A (0.67) HTR2AHRH1LMNAPMP22TDP1
Hydrochloric Acid SCHEMBL1123516 0.85 HTR2A (0.58) HTR2AHRH1LMNAPMP22TDP1
Methacrylic Acid SCHEMBL202040 0.84 HTR2A (0.50) HTR2AHRH1LMNAKDM4ESLC6A4
Acrylic Acid SCHEMBL28956302 0.84 HTR2A (0.50) HTR2AHRH1LMNAPMP22KDM4E
Hydrochloric Acid SCHEMBL11383046 0.81 HRH1 (0.95) HTR2AHRH1LMNAPMP22TDP1
Hydrochloric Acid SCHEMBL5300345 0.80 CARM1 (0.51) HTR2AHRH1LMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27285239 0.79 TDP1 (0.65) HTR2AHRH1LMNAPMP22TDP1
SCHEMBL1802493 0.79 HRH1 (1.00) HTR2AHRH1LMNAPMP22TDP1
SCHEMBL9195200 0.78 TAAR1 (0.47) HTR2AHRH1SLC6A4SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604906-B2 Process for the preparation of 3-aryloxy-3-phenylpropylamine and salt thereof ZCL CHEMICALS LIMITED (IN) 2017-03-28 US disclosed
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2016-04-21 US disclosed
WO-2015001565-A2 \"AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3- PHENYLPROPYLAMINE AND SALT THEREOF\ ZCL CHEMICALS LIMITED (IN) 2015-01-08 WO disclosed
WO-2009141833-A2 AN IMPROVED PROCESS FOR SYNTHESIZING HIGHLY PURE ATOMOXETINE IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 WO disclosed
WO-2008062473-A1 PROCESS FOR PREPARING ATOMOXETINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
WO-2008026227-A2 A PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2008-03-06 WO disclosed
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 US disclosed
US-6706892-B1 ADMINSTERING MALEIMIDE DERIVATIVE TO COVALENTLY BOND PROTEIN; WOUND HEALING, ANTIBIOTIC, ANTIINFLAMMATORY, ANTICARCINOGENIC, HYPOTENSIVE, AND ANALGESIC AGENTS CONJUCHEM, INC. (CA) 2004-03-16 US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 EP disclosed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 WO disclosed
EP-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
CN-1036562-A To propanamine derivatives or improve one's methods relevant with propanamine derivatives LILLY CO ELI (US) 1989-10-25 CN disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4584404-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1986-04-22 US disclosed
EP-0031910-B1 ANILINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION MERCK PATENT GmbH (DE) 1983-04-13 EP disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
EP-0031910-A1 Aniline derivatives, pharmaceutical preparations containing them and processes for their production MERCK PATENT GmbH (DE) 1981-07-15 EP disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF PAH, TYR, NAT1 HTR2A 442/4885HRH1 630/4885SLC6A4 162/4885
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups OGFR, HDGF, SERPINA6 HTR2A 751/4885HRH1 161/4885SLC6A4 729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.