Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11090347

Cl.Cl.Nc1ccccc1N1CC2(CCNCC2)c2ccccc21

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 9)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 1/20 0.36
ROCK1 known ✓ Q13464 1/20 0.36
ADRA2C known ✓ P18825 1/20 0.36
OPRM1 known ✓ P35372 1/20 0.34
AKT1 P31749 8/20 0.54
P2RY1 P47900 5/20 0.46
NOTUM Q6P988 2/20 0.38
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.34

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 SCHEMBL11093288 0.85 AKT1 (0.45) AKT1P2RY1NOTUMTSHR
SCHEMBL11092552 0.81 AKT1 (0.53) AKT1P2RY1NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL11096203 0.81 AKT1 (0.54) AKT1P2RY1NOTUMADRA2CKEAP1
SCHEMBL11270522 0.79 AKT1 (0.55) AKT1P2RY1NOTUMADRA2CKEAP1
Hydrochloric Acid SCHEMBL11092564 0.78 P2RY1 (0.46) AKT1P2RY1NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL28998916 0.78 SLC18A3 (0.49) AKT1P2RY1NOTUMROCK2ROCK1
SCHEMBL15007552 0.78 AKT1 (0.49) AKT1P2RY1NOTUMROCK2ROCK1
SCHEMBL11094423 0.77 AKT1 (0.49) AKT1P2RY1NOTUMROCK2ROCK1
SCHEMBL31707401 0.76 SLC18A3 (0.50) AKT1P2RY1NOTUMROCK2ROCK1
SCHEMBL1587507 0.76 SLC18A3 (0.50) AKT1P2RY1NOTUMROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477667-A Spiro[indoline-3,4'-piperidine]s and related compounds AMERICAN HOECHST CORPORATION (US) 1984-10-16 US disclosed
US-4408050-A Spiro(indoline-3,4'-piperidine) and related compounds AMERICAN HOECHST CORPORATION (US) 1983-10-04 US disclosed
US-4379932-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4379933-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4345081-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1982-08-17 US disclosed
US-4307235-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1981-12-22 US disclosed