Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11535469

CC(CCc1ccc(F)cc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1.Cl

nearest known ligand 0.52

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 13/20 0.52
▸ ADRB1 known ✓ P08588 12/20 0.52
▸ ADRA1A known ✓ P35348 11/20 0.52
▸ ADRB3 known ✓ P13945 11/20 0.52
▸ ADRA1D known ✓ P25100 10/20 0.52
▸ ADRA1B known ✓ P35368 10/20 0.52
▸ ADRA2A known ✓ P08913 2/20 0.52
▸ GAA known ✓ P10253 1/20 0.52
▸ ADRA2B known ✓ P18089 1/20 0.52
▸ ADRA2C known ✓ P18825 1/20 0.52
▸ HTR1A known ✓ P08908 2/20 0.50
▸ SLC6A2 known ✓ P23975 2/20 0.50
▸ SLC6A4 known ✓ P31645 2/20 0.50
▸ OPRM1 known ✓ P35372 1/20 0.50
▸ DRD3 known ✓ P35462 1/20 0.50
▸ HTR2B known ✓ P41595 1/20 0.50
▸ SLC6A3 known ✓ Q01959 1/20 0.50
▸ SIGMAR1 known ✓ Q99720 1/20 0.50
▸ DPP4 known ✓ P27487 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.52

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
SCHEMBL11535993 0.99 ADRB2 (0.52) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL11539106 0.91 ADRB2 (0.61) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL11535281 0.89 ADRB2 (0.50) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL11535992 0.88 ADRB2 (0.51) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL11536595 0.86 ADRB2 (0.47) ADRB2ADRB1ADRA1AADRB3ADRA1D
Hydrochloric Acid SCHEMBL11486541 0.81 ADRB2 (0.63) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL13285116 0.81 ADRB1 (0.66) ADRB2ADRB1ADRA1AADRB3ADRA1D
Hydrochloric Acid SCHEMBL11538393 0.80 ADRB2 (0.63) ADRB2ADRB1ADRA1AADRB3ADRA1D
Hydrochloric Acid SCHEMBL11480322 0.80 ADRA1A (0.63) ADRB2ADRB1ADRA1AADRB3ADRA1D
SCHEMBL11873813 0.80 ADRB2 (0.70) ADRB2ADRB1ADRA1AADRB3ADRA1D

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-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 — — US disclosed
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