SCHEMBL14865159

SCHEMBL14865159

CCc1cccc(-c2ccn(CCC(C)C)c(=O)c2C#N)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.74
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL171929 0.86 GRM2 (1.00) GRM2KDM4EALDH1A1MAPK1
SCHEMBL171735 0.84 GRM2 (0.65) GRM2
SCHEMBL171830 0.79 GRM2 (0.74) GRM2
SCHEMBL171787 0.79 GRM2 (0.77) GRM2
SCHEMBL100657 0.79 GRM2 (1.00) GRM2
SCHEMBL171937 0.77 GRM2 (0.84) GRM2
SCHEMBL5448385 0.77 GRM2 (0.64) GRM2
SCHEMBL101093 0.76 GRM2 (0.69) GRM2
SCHEMBL103628 0.76 GRM2 (1.00) GRM2
SCHEMBL171799 0.76 GRM2 (0.82) GRM2

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
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed