Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7929049

CN1CCN(CCC(=O)c2ccccc2F)CC1.Cl.Cl

nearest known ligand 0.68

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 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.53
DRD2 known ✓ P14416 1/20 0.49
HTR1A known ✓ P08908 1/20 0.46
KMT2A Q03164 4/20 0.68
TSHR P16473 2/20 0.51
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MPI P34949 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.48
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
HCN1 O60741 1/20 0.46

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 SCHEMBL5360314 0.85 ALDH1A1 (0.67) KMT2ASIGMAR1TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL5353437 0.85 KMT2A (0.56) KMT2ASIGMAR1TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL7930415 0.84 ALDH1A1 (0.65) KMT2ASIGMAR1ALDH1A1LMNAMPI
Hydrochloric Acid SCHEMBL8842485 0.84 SMN1; SMN2 (0.56) KMT2AALDH1A1L3MBTL1DRD2MAPT
Hydrochloric Acid SCHEMBL5359326 0.82 ALDH1A1 (0.54) KMT2ASIGMAR1TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL5358201 0.82 SIGMAR1 (0.51) KMT2ASIGMAR1HTR1A
Hydrochloric Acid SCHEMBL8099007 0.82 USP2 (0.55) KMT2ASIGMAR1ALDH1A1DRD2MAPT
Hydrochloric Acid SCHEMBL5365090 0.79 HTT (0.53) KMT2ASIGMAR1TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL7932173 0.78 KMT2A (0.73) KMT2ASIGMAR1TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7929070 0.78 SIGMAR1 (0.49) KMT2ASIGMAR1TSHRALDH1A1LMNA

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
US-6228878-B1 ADMINISTERING INDOLIN-5-ONE DERIVATIVES; INHIBITING FORMATION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION 2001-05-08 US disclosed
US-5968936-A ADMINISTERING SUBSTITUTED 4,5,6,7-TETRAHYDRO-5-MORPHOLINOMETHYL-4-OXOINDOLES MOLECUALR GERIATRICS CORPORATION (US) 1999-10-19 US disclosed
US-5705501-A ADMINISTERING TO INHIBIT FORMATION OF ABNORMAL PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION (US) 1998-01-06 US disclosed