SCHEMBL6891153

SCHEMBL6891153

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC(CNC(=O)c4cnco4)C3)nc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.56
CYP3A4 P08684 1/20 0.43

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
Hydrochloric Acid SCHEMBL1503178 0.99 GRM2 (0.55) GRM2CYP3A4
SCHEMBL6891266 0.88 GRM2 (0.55) GRM2CYP3A4
SCHEMBL6891956 0.85 GRM2 (0.58) GRM2CYP3A4
SCHEMBL6893180 0.83 GRM2 (0.59) GRM2CYP3A4
SCHEMBL6893516 0.82 GRM2 (0.54) GRM2CYP3A4
SCHEMBL6893000 0.82 GRM2 (0.56) GRM2CYP3A4
Hydrochloric Acid SCHEMBL1502997 0.82 GRM2 (0.54) GRM2CYP3A4
SCHEMBL6889424 0.82 GRM2 (0.59) GRM2CYP3A4
Hydrochloric Acid SCHEMBL1502945 0.81 GRM2 (0.58) GRM2CYP3A4
SCHEMBL6892975 0.78 GRM2 (0.70) 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 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