SCHEMBL10145855

SCHEMBL10145855

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3nccnc3N)cc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.60
PARG Q86W56 1/20 0.43
MAPK14 Q16539 2/20 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
SCHEMBL10145857 0.86 GRM2 (0.60) GRM2PARGMAPK14
SCHEMBL10146378 0.84 GRM2 (0.61) GRM2PARG
SCHEMBL14992780 0.83 GRM2 (0.57) GRM2PARGMAPK14
SCHEMBL10145951 0.82 GRM2 (0.65) GRM2PARG
SCHEMBL10145935 0.80 GRM2 (0.70) GRM2PARG
SCHEMBL10145953 0.80 GRM2 (0.59) GRM2PARG
SCHEMBL10146311 0.80 GRM2 (0.78) GRM2PARG
SCHEMBL14992683 0.80 GRM2 (0.59) GRM2PARG
SCHEMBL10146329 0.80 GRM2 (0.65) GRM2PARGMAPK14
SCHEMBL10145933 0.79 GRM2 (0.58) 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