SCHEMBL10145920

SCHEMBL10145920

Cn1c(=O)n(CC2CC2)c2ccc(-c3cncc(N)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 6/20 0.46
GRIN1 Q05586 10/20 0.41
GRIN2B Q13224 10/20 0.41
GRM2 Q14416 1/20 0.41
CRHR1 P34998 1/20 0.39
CRHR2 Q13324 1/20 0.39
METAP2 P50579 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL627459 0.84 PARG (0.44) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL10145982 0.81 PARG (0.49) PARGGRIN1GRIN2BGRM2IRAK4
SCHEMBL10146644 0.80 GRM2 (0.52) GRIN1GRIN2BGRM2IRAK4
SCHEMBL10146576 0.79 GRM2 (0.64) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL10146339 0.76 PARG (0.43) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL10146345 0.75 PARG (0.42) PARGGRIN1GRIN2BGRM2
SCHEMBL628168 0.75 GRM2 (0.49) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL10145997 0.73 PARG (0.42) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL10146006 0.72 PARG (0.40) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL625527 0.72 GRM2 (0.51) PARGGRIN1GRIN2BGRM2CRHR1

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