SCHEMBL10145959

SCHEMBL10145959

COc1ccc(N)c(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.72
PARG Q86W56 3/20 0.43
P2RX3 P56373 1/20 0.43
POLB P06746 1/20 0.38
SCN9A Q15858 1/20 0.38
S100B P04271 1/20 0.36

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
SCHEMBL10146361 0.86 GRM2 (0.62) GRM2PARG
SCHEMBL10145910 0.85 GRM2 (0.60) GRM2PARG
SCHEMBL25865664 0.85 GRM2 (0.80) GRM2PARGPOLB
SCHEMBL10145864 0.84 GRM2 (0.59) GRM2PARG
SCHEMBL625809 0.84 GRM2 (0.67) GRM2PARGP2RX3POLB
SCHEMBL10146645 0.83 GRM2 (0.49) GRM2PARG
SCHEMBL10146668 0.82 GRM2 (0.70) GRM2PARG
SCHEMBL10146655 0.82 GRM2 (0.48) GRM2PARGP2RX3
SCHEMBL10146647 0.82 GRM2 (0.48) GRM2PARGPOLB
SCHEMBL10146651 0.82 GRM2 (0.50) 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