SCHEMBL8154473

SCHEMBL8154473

COc1ccn(CC2CC2)c(=O)c1N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.45
PDE5A O76074 4/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
ICMT O60725 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL8155128 0.85 GRM2 (0.39) GRM2PDE4BPIK3CA
SCHEMBL1827372 0.78 GRM2 (0.61) GRM2
SCHEMBL4682912 0.77 GRM2 (0.36) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL4683778 0.77 GRM2 (0.36) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL4682908 0.77 GRM2 (0.36) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL8160841 0.76 GRM2 (0.40) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL8166792 0.76 GRM2 (0.45) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL8160720 0.74 TNF (0.41) GRM2PDE5APDE4APDE4BPDE4C
SCHEMBL4682658 0.73 PDE1C (0.43) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL15803817 0.69 GRM2 (0.42) GRM2PIK3CDPIK3CAPI4KAPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134708-B1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO MCNEIL JANSSEN PHARM (US) 2011-05-11 EP disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107479-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed