Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3365683

Cl.O=C(NN1CCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.98

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
ACHE known ✓ P22303 1/20 0.67
CHRM2 known ✓ P08172 1/20 0.66
ADRA2B known ✓ P18089 1/20 0.66
ADRA2C known ✓ P18825 1/20 0.66
DRD1 known ✓ P21728 1/20 0.66
SLC6A2 known ✓ P23975 1/20 0.66
HRH2 known ✓ P25021 1/20 0.66
HTR2A known ✓ P28223 1/20 0.66
AGTR1 known ✓ P30556 1/20 0.66
ADRA1A known ✓ P35348 1/20 0.66
HRH1 known ✓ P35367 1/20 0.66
OPRM1 known ✓ P35372 1/20 0.66
DRD3 known ✓ P35462 1/20 0.66
PPARG known ✓ P37231 1/20 0.66
AVPR1A known ✓ P37288 1/20 0.66
OPRK1 known ✓ P41145 1/20 0.66
HTR2B known ✓ P41595 1/20 0.66
SLC6A3 known ✓ Q01959 1/20 0.66
KCNH2 known ✓ Q12809 1/20 0.66
PDE3A known ✓ Q14432 1/20 0.66

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 SCHEMBL3365107 0.99 CNR1 (1.00) CNR1CNR2ACHECYP2C9GPR55
SCHEMBL675967 0.99 CNR1 (0.98) CNR1CNR2ACHECYP2C9GPR55
SCHEMBL5814976 0.98 CNR1 (1.00) CNR1CNR2ACHECYP2C9GPR55
SCHEMBL3363501 0.90 CNR1 (0.81) CNR1CNR2ACHECYP2C9GPR55
SCHEMBL3365144 0.85 CNR1 (0.77) CNR1CNR2ACHECYP2C9GPR55
SCHEMBL3366210 0.82 CNR1 (0.72) CNR1CNR2ACHECYP2C9GPR55
Hydrochloric Acid SCHEMBL3363172 0.81 CNR1 (0.98) CNR1CNR2
Rimonabant SCHEMBL29835931 0.81 CNR1 (1.00) CNR1CNR2ACHECYP2C9GPR55
Rimonabant SCHEMBL1186698 0.81 CNR1 (1.00) CNR1CNR2ACHECYP2C9GPR55
Hydrochloric Acid SCHEMBL3368272 0.80 CNR1 (1.00) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP disclosed
US-7319110-B2 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-15 US disclosed
EP-1753413-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB SB 1/SB -ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2007-02-21 EP disclosed
EP-1542678-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS Solvay Pharmaceuticals B.V. (NL) 2005-06-22 EP disclosed
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-09 US disclosed
WO-2005039550-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB1-ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-06-03 US disclosed
WO-2004026301-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB1 RECEPTOR LIGANDS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-04-01 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 (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-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity CNR1, CNR2, GPR3 ACHE 766/4885CHRM2 133/4885ADRA2B 66/4885
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children PNLIP, DLAT, LPCAT3 ACHE 79/4885CHRM2 2344/4885ADRA2B 1237/4885

“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.