SCHEMBL6891394

SCHEMBL6891394

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCNCC4)C3)nc21

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.70
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6893183 0.94 GRM2 (0.67) GRM2
SCHEMBL1502940 0.84 GRM2 (0.64) GRM2CYP3A4
SCHEMBL6894481 0.84 GRM2 (0.61) GRM2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6889762 0.83 GRM2 (0.60) GRM2USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL1502967 0.83 GRM2 (1.00) GRM2
SCHEMBL6892688 0.81 GRM2 (0.58) GRM2CYP3A4
SCHEMBL1502996 0.81 GRM2 (0.55) GRM2USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL1503094 0.81 GRM2 (0.60) GRM2CYP3A4
SCHEMBL1502978 0.80 GRM2 (0.59) GRM2USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL6893006 0.80 GRM2 (0.58) GRM2ALDH1A1CYP3A4HSD17B10

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