SCHEMBL3666758

SCHEMBL3666758

N#Cc1ccccc1-c1cc(-c2cccc(Br)n2)cc(-n2ccccc2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
GABRG2 P18507 7/20 0.36
GABRB3 P28472 7/20 0.36
GABRA1 P14867 6/20 0.36
GABRA5 P31644 6/20 0.36
GABRA3 P34903 6/20 0.36
GABRA2 P47869 3/20 0.36
TRPA1 O75762 1/20 0.36
PSD A5PKW4 1/20 0.34
ADORA2A P29274 2/20 0.34
GRM2 Q14416 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL3677711 0.87 GABRA1 (0.45) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL2921712 0.86 TGFBR1 (0.38) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL2918046 0.83 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3
Water SCHEMBL4777578 0.83 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL4379556 0.80 ADORA2A (0.35) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3802038 0.80 HTT (0.41) PDE4D
SCHEMBL3681524 0.78 CYP11B1 (0.45) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3672704 0.77 GABRG2 (0.43) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3667254 0.75 GRIA1 (0.41) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3667717 0.75 PGR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2164489-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 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
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed