SCHEMBL10146628

SCHEMBL10146628

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CF)c3)cc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.73
PARG Q86W56 1/20 0.44
BRD4 O60885 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL14992451 0.88 GRM2 (0.73) GRM2PARGBRD4
SCHEMBL14992501 0.85 GRM2 (0.76) GRM2PARGGRIN1GRIN2B
SCHEMBL10146321 0.85 GRM2 (0.72) GRM2PARGBRD4GRIN1GRIN2B
SCHEMBL10146323 0.85 GRM2 (0.95) GRM2PARGBRD4
SCHEMBL625814 0.84 GRM2 (1.00) GRM2PARGBRD4
SCHEMBL14992660 0.84 GRM2 (0.78) GRM2PARGGRIN1GRIN2B
SCHEMBL10146618 0.83 GRM2 (0.73) GRM2GRIN1GRIN2B
SCHEMBL10146602 0.82 GRM2 (0.76) GRM2PARGGRIN1GRIN2B
SCHEMBL625351 0.82 GRM2 (0.76) GRM2PARG
SCHEMBL14992991 0.81 GRM2 (0.78) GRM2PARG

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-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed