Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8804628

Cl.Cl.OCCOCCN1CCN(Cc2ccc(-c3ccc(Cl)cc3)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
HTR2A known ✓ P28223 2/20 0.60
HTR2B known ✓ P41595 2/20 0.60
HRH1 known ✓ P35367 3/20 0.55
HTR7 known ✓ P34969 2/20 0.55
CHRM2 known ✓ P08172 2/20 0.55
ADRA2C known ✓ P18825 2/20 0.55
KCNH2 known ✓ Q12809 2/20 0.55
ADRA2A known ✓ P08913 1/20 0.55
DRD2 known ✓ P14416 1/20 0.55
ADRA2B known ✓ P18089 1/20 0.55
DRD4 known ✓ P21917 1/20 0.55
HRH2 known ✓ P25021 1/20 0.55
ADRA1A known ✓ P35348 1/20 0.55
DRD3 known ✓ P35462 1/20 0.55
OPRK1 known ✓ P41145 1/20 0.55
HTR5A known ✓ P47898 1/20 0.55
HTR6 known ✓ P50406 1/20 0.55
HRH3 known ✓ Q9Y5N1 4/20 0.49
SIGMAR1 known ✓ Q99720 2/20 0.49
SLC6A2 known ✓ P23975 2/20 0.49

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
SCHEMBL32668994 0.97 HTR2A (0.57) HTR2AHTR2BHRH1HTR7CHRM2
Maleic Acid SCHEMBL1651205 0.88 HTR2A (0.53) HTR2AHTR2BHRH1HTR7CHRM2
SCHEMBL25230821 0.86 SMN1; SMN2 (0.52) HTR2AHTR2BHRH1HTR7CHRM2
Hydrochloric Acid SCHEMBL8804632 0.84 SMN1; SMN2 (0.51) HTR2AHTR2BHRH1HTR7CHRM2
SCHEMBL8070876 0.84 LSS (0.63) LSSHRH3SIGMAR1LMNACACNA1G
Hydrochloric Acid SCHEMBL9860099 0.83 HTR7 (0.56) HTR2AHTR2BHRH1HTR7CHRM2
Hydrochloric Acid SCHEMBL28377294 0.83 HRH1 (0.61) HTR2AHTR2BHRH1KCNH2HRH2
SCHEMBL1446951 0.82 HTR7 (0.57) HTR2AHTR2BHRH1HTR7CHRM2
SCHEMBL12976185 0.81 SMN1; SMN2 (0.56) HTR2AHTR2BHRH1HTR7CHRM2
SCHEMBL6558636 0.81 HRH1 (0.60) HTR2AHTR2BHRH1KCNH2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775139-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-28 EP disclosed
WO-1996005201-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-22 WO disclosed