Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1502998

Cn1c2c(n(CC(C)(C)C)c1=O)=CC=C(N1CCCC(CNC(=O)c3cc[nH]n3)C1)[N+]=2.[Cl-]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.34
IRAK1 P51617 1/20 0.32
PPARA Q07869 3/20 0.32
USP30 Q70CQ3 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
P2RY12 Q9H244 1/20 0.31
BCL6 P41182 1/20 0.31
PARP1 P09874 1/20 0.30
PRMT5 O14744 1/20 0.30
GRM2 Q14416 1/20 0.30

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 SCHEMBL1502948 0.85 GRM2 (0.37) ACKR3PPARAUSP30CACNA1IP2RY12
Hydrochloric Acid SCHEMBL1503180 0.83 PPARA (0.32) ACKR3IRAK1PPARAGRM2
Hydrochloric Acid SCHEMBL1502914 0.79 GRM2 (0.33) BCL6GRM2
SCHEMBL6893516 0.78 GRM2 (0.54) GRM2
Hydrochloric Acid SCHEMBL1502997 0.78 GRM2 (0.54) GRM2
Hydrochloric Acid SCHEMBL1503025 0.76 DPP4 (0.37) USP30GRM2
Hydrochloric Acid SCHEMBL1503103 0.74 DPP4 (0.37) USP30BCL6
Hydrochloric Acid SCHEMBL1503007 0.71
SCHEMBL5592949 0.65 HDAC6 (0.50)
SCHEMBL6889424 0.64 GRM2 (0.59) GRM2

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
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO claimed