SCHEMBL1503059

SCHEMBL1503059

CC(C)c1cc(C(=O)N2CC3CCC2CN3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.68
CYP3A4 P08684 1/20 0.65

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
SCHEMBL1503069 0.88 GRM2 (0.69) GRM2CYP3A4
SCHEMBL1503070 0.85 GRM2 (0.73) GRM2CYP3A4
SCHEMBL6891558 0.83 GRM2 (0.76) GRM2CYP3A4
SCHEMBL1503057 0.83 GRM2 (0.72) GRM2CYP3A4
SCHEMBL6893095 0.81 GRM2 (1.00) GRM2CYP3A4
SCHEMBL1503018 0.81 GRM2 (0.72) GRM2CYP3A4
SCHEMBL6892021 0.81 GRM2 (0.73) GRM2CYP3A4
SCHEMBL6891991 0.81 GRM2 (0.85) GRM2CYP3A4
SCHEMBL6891174 0.81 GRM2 (0.85) GRM2CYP3A4
SCHEMBL6891964 0.80 GRM2 (0.73) 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