SCHEMBL6893006

SCHEMBL6893006

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(c5ncccc5N)C4)C3)nc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.58
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6892688 0.97 GRM2 (0.58) GRM2CYP3A4
SCHEMBL6891394 0.80 GRM2 (0.70) GRM2CYP3A4ALDH1A1HSD17B10
SCHEMBL1502940 0.79 GRM2 (0.64) GRM2CYP3A4
SCHEMBL6893183 0.78 GRM2 (0.67) GRM2
SCHEMBL1502978 0.78 GRM2 (0.59) GRM2CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL6891672 0.77 GRM2 (0.54) GRM2CYP3A4
SCHEMBL1503094 0.77 GRM2 (0.60) GRM2CYP3A4
SCHEMBL6889762 0.77 GRM2 (0.60) GRM2CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL6894481 0.76 GRM2 (0.61) GRM2CYP3A4HPGDHSD17B10
SCHEMBL1502996 0.75 GRM2 (0.55) GRM2CYP3A4ALDH1A1HPGDHSD17B10

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