SCHEMBL10146658

SCHEMBL10146658

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(Oc4ncccc4N)ccc3N)cc21

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.50
PARG Q86W56 1/20 0.38
SCN9A Q15858 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
SCHEMBL10146643 0.93 GRM2 (0.48) GRM2PARGSCN9A
SCHEMBL10145817 0.89 GRM2 (0.57) GRM2PARG
SCHEMBL10146645 0.84 GRM2 (0.49) GRM2PARG
SCHEMBL10145959 0.82 GRM2 (0.72) GRM2PARGSCN9A
SCHEMBL10146655 0.82 GRM2 (0.48) GRM2PARG
SCHEMBL10146651 0.82 GRM2 (0.50) GRM2PARG
SCHEMBL10146647 0.82 GRM2 (0.48) GRM2PARG
SCHEMBL626918 0.81 GRM2 (0.48) GRM2PARG
SCHEMBL14992886 0.80 GRM2 (0.46) GRM2
SCHEMBL10146378 0.79 GRM2 (0.61) 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