Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5686168

Cl.O=C(O)COCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

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
HRH1 known ✓ P35367 4/20 0.60
HRH2 known ✓ P25021 2/20 0.58
HTR2A known ✓ P28223 2/20 0.58
DRD3 known ✓ P35462 2/20 0.58
HTR2B known ✓ P41595 2/20 0.58
KCNH2 known ✓ Q12809 2/20 0.58
SLC6A2 known ✓ P23975 1/20 0.58
SLC6A4 known ✓ P31645 1/20 0.58
SLC6A3 known ✓ Q01959 1/20 0.58
HTR7 known ✓ P34969 4/20 0.50
HRH3 known ✓ Q9Y5N1 1/20 0.48
BCHE known ✓ P06276 1/20 0.44
ACHE known ✓ P22303 1/20 0.44
CHRM2 known ✓ P08172 1/20 0.44
ADRA2A known ✓ P08913 1/20 0.44
DRD2 known ✓ P14416 1/20 0.44
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
DRD4 known ✓ P21917 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44

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
Hydrochloric Acid SCHEMBL219199 1.00 HRH1 (0.60) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL219876 0.99 HRH1 (0.59) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL10930701 0.98 HRH1 (0.58) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL2058761 0.97 HRH1 (0.57) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL1569359 0.89 HTR7 (0.50) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL10930120 0.88 HTR7 (0.47) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL7588549 0.88 HRH1 (0.56) HRH1HRH2HTR2ADRD3HTR2B
Potassium Ion SCHEMBL2058535 0.88 HTR7 (0.49) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL2058741 0.88 HRH3 (0.49) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL5624913 0.88 HTR7 (0.51) HRH1HRH2HTR2ADRD3HTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production WOCKHARDT LIMITED (IN) 2006-11-16 US claimed
US-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production WOCKHARDT LIMITED (IN) 2006-11-16 US disclosed
EP-1628964-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL] -1-PIPERAZINYL] ETHOXY] ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION Wockhardt Limited (IN) 2006-03-01 EP disclosed
WO-2004103982-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION WOCKHARDT LIMITED (US) 2004-12-02 WO 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 (1 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-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production CMA1, HRH2, HRH1 HRH1 3/4885HRH2 2/4885HTR2A 534/4885

“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.