SCHEMBL10145982

SCHEMBL10145982

Cn1c(=O)n(CC2(C)CC2)c2ccc(-c3cncc(N)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 13/20 0.49
GRM2 Q14416 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35

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
SCHEMBL14992395 0.84 PARG (0.47) PARGGRM2
SCHEMBL10145920 0.81 PARG (0.46) PARGGRM2IRAK4GRIN1GRIN2B
SCHEMBL10146635 0.80 GRM2 (0.62) PARGGRM2
SCHEMBL10146644 0.79 GRM2 (0.52) GRM2IRAK4GRIN1GRIN2B
SCHEMBL10146671 0.77 PARG (0.51) PARGGRM2
SCHEMBL10146572 0.77 PARG (0.48) PARGGRM2
SCHEMBL14992408 0.74 PARG (0.45) PARGGRM2GRIN1GRIN2B
SCHEMBL14992139 0.71 GRIN1 (0.46) PARGGRIN1GRIN2B
SCHEMBL10145837 0.70 PARG (0.42) PARGGRM2
SCHEMBL14992923 0.70 PARG (0.48) PARGGRM2

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