SCHEMBL2925898

SCHEMBL2925898

[CH2]c1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.50
GRIA3 P42263 1/20 0.50
PDE4D Q08499 1/20 0.50
GRM5 P41594 5/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
ESR2 Q92731 1/20 0.41
CHEK1 O14757 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TRPA1 O75762 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL18411434 0.84 GRIA1 (0.53) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL18411316 0.82 GRIA1 (0.52) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL3475505 0.81 GRIA1 (0.52) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL4463772 0.79 GRIA1 (0.50) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL973015 0.78 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL30102603 0.78 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL31070227 0.78 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL2918046 0.77 GRIA1 (0.56) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL5046202 0.77 GRIA1 (0.48) GRIA1GRIA3PDE4DGRM5GABRG2
Water SCHEMBL4777578 0.77 GRIA1 (0.56) GRIA1GRIA3PDE4DGRM5GABRG2

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-2222296-A2 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR EPILEPSY Eisai R&D Management Co., Ltd. (JP) 2010-09-01 EP disclosed
EP-2164488-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2009082038-A2 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR EPILEPSY EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 WO disclosed
WO-2009011410-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed