SCHEMBL1502996

SCHEMBL1502996

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(C(=O)c5ncc[nH]5)CC4)C3)nc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.55
CYP3A4 P08684 4/20 0.41
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL6889762 0.85 GRM2 (0.60) GRM2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL1502940 0.84 GRM2 (0.64) GRM2CYP3A4
SCHEMBL6894481 0.82 GRM2 (0.61) GRM2CYP3A4HSD17B10CYP2C9CYP2D6
SCHEMBL6891394 0.81 GRM2 (0.70) GRM2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL1502978 0.81 GRM2 (0.59) GRM2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL1503094 0.80 GRM2 (0.60) GRM2CYP3A4
SCHEMBL1502955 0.79 GRM2 (0.54) GRM2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL6893183 0.78 GRM2 (0.67) GRM2
SCHEMBL6892688 0.77 GRM2 (0.58) GRM2CYP3A4
SCHEMBL1503128 0.77 GRM2 (0.72) GRM2CYP3A4

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