Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9344932

CNCC(O)c1ccc(OC(=O)c2ccc(C)cc2)c(OC(=O)C(C)C)c1.Cl

nearest known ligand 0.58

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 7/20 0.58
ADRA1A known ✓ P35348 3/20 0.49
ADRA2A known ✓ P08913 2/20 0.49
DRD2 known ✓ P14416 2/20 0.49
ADRA2C known ✓ P18825 2/20 0.49
DRD1 known ✓ P21728 2/20 0.49
DRD3 known ✓ P35462 2/20 0.49
ADRB1 known ✓ P08588 3/20 0.39
ADRB3 known ✓ P13945 3/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
GAA known ✓ P10253 1/20 0.39
ADRA1D known ✓ P25100 2/20 0.39
ADRA1B known ✓ P35368 2/20 0.39
ADRA2B known ✓ P18089 1/20 0.39
PTGS2 known ✓ P35354 1/20 0.39
HIF1A Q16665 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 2/20 0.56
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.44

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 SCHEMBL9344045 1.00 ADRB2 (0.58) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9348676 0.92 ADRB2 (0.59) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9344067 0.91 ADRB2 (0.58) ADRB2HIF1AALDH1A1CYP3A4LMNA
Dibutepinephrine SCHEMBL20141839 0.88 HIF1A (0.69) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9346070 0.88 ADRB2 (0.48) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9345998 0.88 ADRB2 (0.48) ADRB2HIF1AALDH1A1CYP3A4LMNA
SCHEMBL11278863 0.87 ALDH1A1 (0.59) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9348680 0.87 ADRB2 (0.58) ADRB2HIF1AALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL9348690 0.83 ADRB2 (0.61) ADRB2HIF1AALDH1A1CYP3A4LMNA
SCHEMBL11527878 0.82 ADRB2 (0.52) ADRB2HIF1AALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393782-B1 Catecholamine esters ZAMBON SPA (IT) 1994-08-03 EP disclosed
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed
EP-0393782-A2 Catecholamine esters ZAMBON GROUP S.p.A. (IT) 1990-10-24 EP disclosed