SCHEMBL10145865

SCHEMBL10145865

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(N)c(Cl)n3)cc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.57
PARG Q86W56 1/20 0.43
PTAFR P25105 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL14992544 0.84 GRM2 (0.57) GRM2PARGPTAFRHTR2B
SCHEMBL10145868 0.82 GRM2 (0.57) GRM2PARGPTAFRHTR2B
SCHEMBL10146379 0.82 GRM2 (0.62) GRM2PARGPTAFRHTR2B
SCHEMBL10146307 0.82 GRM2 (0.62) GRM2PARG
SCHEMBL10145944 0.82 GRM2 (0.59) GRM2PARGPTAFRHTR2B
SCHEMBL10146376 0.81 GRM2 (0.71) GRM2PARGPTAFRHTR2B
SCHEMBL14857046 0.79 GRM2 (0.74) GRM2PTAFRHTR2B
SCHEMBL10145856 0.79 GRM2 (0.58) GRM2PARGPTAFRHTR2B
SCHEMBL10145953 0.77 GRM2 (0.59) GRM2PARGPTAFRHTR2B
SCHEMBL10146377 0.77 GRM2 (0.62) 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