SCHEMBL10145951

SCHEMBL10145951

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccnc(N)c3)cc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.65
PARG Q86W56 1/20 0.44
DYRK1A Q13627 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTAFR P25105 1/20 0.38
HTR2B P41595 1/20 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
SCHEMBL10146329 0.85 GRM2 (0.65) GRM2PARG
SCHEMBL10146656 0.85 GRM2 (0.59) GRM2PARG
SCHEMBL10146324 0.85 GRM2 (0.76) GRM2PARGPTAFRHTR2B
SCHEMBL10146325 0.84 GRM2 (0.64) GRM2PARG
SCHEMBL10145953 0.83 GRM2 (0.59) GRM2PARGPTAFRHTR2B
SCHEMBL10146311 0.83 GRM2 (0.78) GRM2PARGPTAFRHTR2B
SCHEMBL14992134 0.82 GRM2 (0.61) GRM2PARG
SCHEMBL10146376 0.82 GRM2 (0.71) GRM2PARGPTAFRHTR2B
SCHEMBL10145855 0.82 GRM2 (0.60) GRM2PARG
SCHEMBL10146661 0.82 GRM2 (0.55) 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