Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11472549

CCOc1ccccc1OCCNCC(O)c1ccc(O)c(S(N)(=O)=O)c1.Cl

nearest known ligand 0.69

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
ADRB2 known ✓ P07550 16/20 0.69
ADRB1 known ✓ P08588 12/20 0.69
DRD2 known ✓ P14416 6/20 0.69
DRD3 known ✓ P35462 6/20 0.69
HTR1A known ✓ P08908 2/20 0.69
ADRA2A known ✓ P08913 2/20 0.69
ADRA2B known ✓ P18089 2/20 0.69
ADRA2C known ✓ P18825 2/20 0.69
HTR2A known ✓ P28223 2/20 0.69
ADRA1A known ✓ P35348 2/20 0.69
HTR2B known ✓ P41595 2/20 0.69
KCNH2 known ✓ Q12809 2/20 0.69
SLC6A4 known ✓ P31645 1/20 0.69
HRH1 known ✓ P35367 1/20 0.69
PDE4D known ✓ Q08499 1/20 0.69
DRD1 known ✓ P21728 4/20 0.61
DRD4 known ✓ P21917 4/20 0.61
ADRB3 known ✓ P13945 9/20 0.47
ADRA1D known ✓ P25100 1/20 0.46
HTR7 known ✓ P34969 1/20 0.46

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
SCHEMBL11477204 0.99 ADRB2 (0.70) ADRB2ADRB1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL11472525 0.92 ADRB2 (0.81) ADRB2ADRB1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL11472523 0.91 ADRB2 (0.83) ADRB2ADRB1DRD2DRD3HTR1A
SCHEMBL11473130 0.91 ADRB2 (0.83) ADRB2ADRB1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL9857980 0.90 ADRB2 (0.75) ADRB2ADRB1DRD2DRD3HTR1A
SCHEMBL11473050 0.90 ADRB2 (0.85) ADRB2ADRB1DRD2DRD3HTR1A
SCHEMBL11486580 0.89 ADRB2 (0.77) ADRB2ADRB1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL11400227 0.84 ADRB2 (0.83) ADRB2ADRB1DRD2DRD3HTR1A
SCHEMBL11471245 0.83 ADRB2 (0.85) ADRB2ADRB1DRD2DRD3HTR1A
Amosulalol SCHEMBL50631 0.83 ADRB2 (0.98) ADRB2ADRB1DRD2DRD3HTR1A

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-4217305-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-08-12 US disclosed