Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1502914

Cn1c2c(n(CC(C)(C)C)c1=O)=CC=C(N1CCCC(CNc3ncccn3)C1)[N+]=2.[Cl-]

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.33
GRIN2B Q13224 4/20 0.32
BCL6 P41182 1/20 0.31

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 SCHEMBL1503103 0.86 DPP4 (0.37) BCL6
Hydrochloric Acid SCHEMBL1503025 0.84 DPP4 (0.37) GRM2
Hydrochloric Acid SCHEMBL1502948 0.81 GRM2 (0.37) GRM2
Hydrochloric Acid SCHEMBL1503180 0.80 PPARA (0.32) GRM2
Hydrochloric Acid SCHEMBL1502998 0.79 ACKR3 (0.34) GRM2BCL6
Hydrochloric Acid SCHEMBL1503007 0.75
Hydrochloric Acid SCHEMBL1502913 0.75 GRM2 (0.60) GRM2
SCHEMBL6890782 0.65 GRM2 (0.55) GRM2
SCHEMBL6893120 0.64 GRM2 (0.55) GRM2
Hydrochloric Acid SCHEMBL1503100 0.63 GRM2 (0.52) 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 disclosed