Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11201992

Cl.O=c1[nH]c2ccccc2n1CCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)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
HTR1A known ✓ P08908 3/20 0.53
DRD2 known ✓ P14416 3/20 0.53
HTR2A known ✓ P28223 3/20 0.53
DRD3 known ✓ P35462 3/20 0.53
KCNH2 known ✓ Q12809 3/20 0.53
CHRM1 known ✓ P11229 2/20 0.53
ADRA2B known ✓ P18089 2/20 0.53
ADRA2C known ✓ P18825 2/20 0.53
DRD1 known ✓ P21728 2/20 0.53
DRD4 known ✓ P21917 2/20 0.53
HTR2C known ✓ P28335 2/20 0.53
SLC6A4 known ✓ P31645 2/20 0.53
ADRA1A known ✓ P35348 2/20 0.53
HRH1 known ✓ P35367 2/20 0.53
HTR2B known ✓ P41595 2/20 0.53
HTR6 known ✓ P50406 2/20 0.53
SLC6A3 known ✓ Q01959 2/20 0.53
CACNA1G known ✓ O43497 1/20 0.53
CACNA1F known ✓ O60840 1/20 0.53
CACNA1H known ✓ O95180 1/20 0.53

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 SCHEMBL11364070 0.99 P2RX7 (0.53) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11364096 0.99 P2RX7 (0.53) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11204771 0.94 LMNA (0.58) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11371000 0.93 LMNA (0.57) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11371006 0.93 LMNA (0.57) P2RX7HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL11201870 0.92 P2RX7 (0.64) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL11469826 0.91 P2RX7 (0.65) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL11369359 0.84 P2RX7 (0.66) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL11205572 0.84 P2RX7 (0.66) P2RX7HTR1ADRD2HTR2ADRD3
SCHEMBL1152298 0.84 P2RX7 (0.56) P2RX7HTR1ADRD2HTR2ADRD3

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-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed