SCHEMBL254067

SCHEMBL254067

Nc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.73
CYP2C9 P11712 1/20 0.61

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
SCHEMBL159240 0.90 GRM5 (0.90) GRM5
SCHEMBL15293376 0.90 GRM5 (0.73) GRM5CYP2C9
SCHEMBL156930 0.90 GRM5 (0.80) GRM5CYP2C9
SCHEMBL253711 0.89 GRM5 (0.74) GRM5CYP2C9
SCHEMBL170684 0.88 GRM5 (0.71) GRM5CYP2C9
SCHEMBL254530 0.87 GRM5 (0.68) GRM5CYP2C9
SCHEMBL173748 0.87 GRM5 (0.72) GRM5CYP2C9
SCHEMBL254060 0.87 GRM5 (0.76) GRM5CYP2C9
SCHEMBL10246588 0.87 GRM5 (0.72) GRM5CYP2C9
SCHEMBL173287 0.87 GRM5 (0.74) GRM5CYP2C9

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-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 WO disclosed