Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10829941

COCC(C)NCC(O)COC(Cc1cccc(Cl)c1)C(=O)c1ccccc1.Cl

nearest known ligand 0.47

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
ADRB3 known ✓ P13945 6/20 0.44
ADRB1 known ✓ P08588 6/20 0.44
PPARG known ✓ P37231 1/20 0.40
ADRB2 known ✓ P07550 3/20 0.39
ADRA1A known ✓ P35348 2/20 0.38
ADRA1D known ✓ P25100 1/20 0.38
ADRA1B known ✓ P35368 1/20 0.38
HTR1A known ✓ P08908 1/20 0.38
ADRA2A known ✓ P08913 1/20 0.38
ADRA2B known ✓ P18089 1/20 0.38
ADRA2C known ✓ P18825 1/20 0.38
CHRM3 known ✓ P20309 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.38
HTR2A known ✓ P28223 1/20 0.38
HTR2C known ✓ P28335 1/20 0.38
SLC6A4 known ✓ P31645 1/20 0.38
HRH1 known ✓ P35367 1/20 0.38
OPRM1 known ✓ P35372 1/20 0.38
DRD3 known ✓ P35462 1/20 0.38
HTR2B known ✓ P41595 1/20 0.38

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 SCHEMBL10829596 0.90 ADRB3 (0.45) ADRB3ADRB1MEN1KMT2APPARG
Hydrochloric Acid SCHEMBL10830601 0.83 MEN1 (0.48) ADRB3ADRB1MEN1KMT2APPARG
Hydrochloric Acid SCHEMBL10829906 0.83 KDM4E (0.38) HPGDADRB3ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL10830008 0.82 ALDH1A1 (0.44) HPGDADRB3ADRB1MEN1KMT2A
SCHEMBL10842387 0.82 MEN1 (0.48) ADRB3ADRB1MEN1KMT2APPARG
SCHEMBL10829754 0.81 ADRB2 (0.49) ADRB3ADRB1MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL10830438 0.81 MEN1 (0.46) ADRB3MEN1KMT2APPARGPPARA
SCHEMBL10996457 0.81 ALDH1A1 (0.45) HPGDADRB3ADRB1MEN1KMT2A
SCHEMBL10829990 0.81 MEN1 (0.49) ADRB3ADRB1MEN1KMT2APPARG
Hydrochloric Acid SCHEMBL10830034 0.80 MEN1 (0.47) ADRB3ADRB1MEN1KMT2AADRB2

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
US-4571409-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-02-18 US disclosed
US-4540697-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed