SCHEMBL1503012

SCHEMBL1503012

C[C@H]1CCCCN1c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.76
CYP3A4 P08684 1/20 0.51

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
SCHEMBL6890941 0.97 GRM2 (0.77) GRM2CYP3A4
SCHEMBL1503055 0.87 GRM2 (0.73) GRM2CYP3A4
SCHEMBL6892158 0.86 GRM2 (0.71) GRM2CYP3A4
SCHEMBL1502981 0.86 GRM2 (1.00) GRM2CYP3A4
SCHEMBL1503008 0.85 GRM2 (0.70) GRM2CYP3A4
SCHEMBL6893063 0.85 GRM2 (0.69) GRM2CYP3A4
SCHEMBL1503067 0.84 GRM2 (0.68) GRM2CYP3A4
SCHEMBL1503068 0.82 GRM2 (0.60) GRM2CYP3A4
SCHEMBL1502967 0.82 GRM2 (1.00) GRM2
SCHEMBL1502983 0.81 GRM2 (0.65) 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