SCHEMBL10145883

SCHEMBL10145883

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(C(C)(O)c4ccc(N)cc4)c3)cc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.63
PTAFR P25105 1/20 0.40
HTR2B P41595 1/20 0.40
PARG Q86W56 1/20 0.39
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 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
SCHEMBL10145889 0.91 GRM2 (0.76) GRM2PTAFRHTR2BPARGGRIN1
SCHEMBL624898 0.87 GRM2 (0.59) GRM2PTAFRHTR2BPARGGRIN1
SCHEMBL625482 0.86 GRM2 (0.73) GRM2PTAFRHTR2BPARGGRIN1
SCHEMBL10146311 0.84 GRM2 (0.78) GRM2PTAFRHTR2BPARG
SCHEMBL10146618 0.81 GRM2 (0.73) GRM2GRIN1GRIN2B
SCHEMBL10145880 0.81 GRM2 (0.62) GRM2PTAFRHTR2BPARGGRIN1
SCHEMBL10146360 0.80 GRM2 (0.64) GRM2PARG
SCHEMBL625960 0.80 GRM2 (0.74) GRM2PTAFRHTR2BPARG
SCHEMBL625351 0.79 GRM2 (0.76) GRM2PTAFRHTR2BPARG
SCHEMBL10146323 0.78 GRM2 (0.95) 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