SCHEMBL6715992

SCHEMBL6715992

N#CCc1cccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)c1.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2cccc(O)c2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.69
GRIA3 P42263 1/20 0.69
PDE4D Q08499 1/20 0.69
GRM5 P41594 3/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
ADORA2A P29274 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TDP2 O95551 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL1882181 0.95 GRIA1 (0.77) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1879835 0.93 GRIA1 (0.80) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1882173 0.88 GRIA1 (0.76) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1882146 0.85 GRIA1 (0.80) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1883212 0.84 GRIA1 (0.67) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL1883286 0.84 GRIA1 (0.75) GRIA1GRIA3PDE4DGRM5TDP2
Perampanel SCHEMBL194370 0.83 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1
Perampanel SCHEMBL4214584 0.83 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1
Perampanel SCHEMBL2857277 0.83 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1
Perampanel SCHEMBL31069847 0.83 GRIA1 (1.00) GRIA1GRIA3PDE4DGRM5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed