Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11035289

Cl.O=C(O)COCCOCCN1CCC(=C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

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 5/20 0.57
HTR2A known ✓ P28223 3/20 0.55
DRD3 known ✓ P35462 3/20 0.55
HTR2B known ✓ P41595 3/20 0.55
HRH2 known ✓ P25021 2/20 0.55
KCNH2 known ✓ Q12809 2/20 0.55
SLC6A2 known ✓ P23975 1/20 0.55
SLC6A4 known ✓ P31645 1/20 0.55
SLC6A3 known ✓ Q01959 1/20 0.55
OPRK1 known ✓ P41145 2/20 0.47
OPRM1 known ✓ P35372 1/20 0.47
OPRD1 known ✓ P41143 1/20 0.47
DRD2 known ✓ P14416 2/20 0.46
HTR7 known ✓ P34969 2/20 0.46
HTR1A known ✓ P08908 1/20 0.46
HTR2C known ✓ P28335 1/20 0.46
KCNA5 known ✓ P22460 1/20 0.45
CHRM2 known ✓ P08172 1/20 0.42
ADRA2A known ✓ P08913 1/20 0.42
ADRA2B known ✓ P18089 1/20 0.42

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
SCHEMBL11037025 0.99 HRH1 (0.56) HRH1HTR2ADRD3HTR2BHRH2
Hydrochloric Acid SCHEMBL11034935 0.98 HRH1 (0.59) HRH1HTR2ADRD3HTR2BHRH2
Pibaxizine SCHEMBL11033265 0.93 OPRD1 (0.50) HRH1HTR2ADRD3HTR2BHRH2
Pibaxizine SCHEMBL1231070 0.92 OPRD1 (0.51) HRH1HTR2ADRD3HTR2BHRH2
Hydrochloric Acid SCHEMBL11034985 0.91 OPRD1 (0.52) HRH1HTR2ADRD3HTR2BHRH2
SCHEMBL11034679 0.90 OPRK1 (0.49) HRH1HTR2ADRD3HTR2BHRH2
SCHEMBL11034385 0.89 OPRD1 (0.53) HRH1HTR2ADRD3HTR2BHRH2
Hydrochloric Acid SCHEMBL11036480 0.89 OPRD1 (0.50) HRH1HTR2ADRD3HTR2BHRH2
SCHEMBL11097971 0.88 OPRD1 (0.51) HRH1HTR2ADRD3HTR2BHRH2
SCHEMBL11037158 0.85 HTR2A (0.52) HRH1HTR2ADRD3HTR2BHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443460-A ANTIALLERGENS, ANTIHISTAMINES, ANTISPASMODICS, BRONCHODILATORS UCB, SOCIETE ANONYME (BE) 1984-04-17 US disclosed