Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7500244

COC(=O)C(N)C(=O)c1ccc(F)c(F)c1.Cl

nearest known ligand 0.54

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
CHRNA1 known ✓ P02708 1/20 0.54
CHRNG known ✓ P07510 1/20 0.54
CHRNB1 known ✓ P11230 1/20 0.54
SLC6A2 known ✓ P23975 1/20 0.54
CHRNB4 known ✓ P30926 1/20 0.54
CHRNA3 known ✓ P32297 1/20 0.54
SLC6A3 known ✓ Q01959 1/20 0.54
CHRND known ✓ Q07001 1/20 0.54
GAA known ✓ P10253 1/20 0.43
DPP4 known ✓ P27487 3/20 0.41
KCNQ3 known ✓ O43525 1/20 0.37
KCNQ2 known ✓ O43526 1/20 0.37
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 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
SCHEMBL7500254 0.98 CHRNA1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL14691126 0.82 NPC1 (0.42) CES2CES1SMN1; SMN2GAAMEN1
SCHEMBL14691129 0.80 NPC1 (0.44) CES2CES1SMN1; SMN2GAAMEN1
SCHEMBL9219903 0.79 CHRNA1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL3741179 0.78 KMO (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3741183 0.76 HPGD (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL4969343 0.75 KMT2A (0.50) CES2CES1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4969339 0.75 KMT2A (0.50) CES2CES1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL9504115 0.74 MEN1 (0.55) SMN1; SMN2MEN1KMT2ARAB9AMAPK1
Hydrochloric Acid SCHEMBL9504122 0.74 MEN1 (0.55) SMN1; SMN2MEN1KMT2ARAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140906-A4 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMA CORP (US) 2002-03-13 EP disclosed
EP-1140906-A1 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035907-A1 IMIDAZOLONES AND THEIR USE IN TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-22 WO disclosed
US-6046331-A Imidazolones and their use in treating benign prostatic hyperplasia and other disorders SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-04-04 US disclosed