SCHEMBL3667254

SCHEMBL3667254

N#Cc1ccccc1-c1cc(-c2ncccc2O)cc(-n2ccccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA3 P42263 1/20 0.41
PDE4D Q08499 1/20 0.41
ESR2 Q92731 1/20 0.36
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 2/20 0.34
CTSA P10619 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL2918046 0.84 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2
Water SCHEMBL4777578 0.84 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL6674300 0.77 GRIA1 (0.41) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL3681524 0.77 CYP11B1 (0.45) GRIA1GRIA3PDE4DESR2GABRA1
SCHEMBL3672704 0.77 GABRG2 (0.43) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL3666758 0.75 GRIA1 (0.39) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL3677711 0.75 GABRA1 (0.45) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL3668801 0.75 GRIA1 (0.45) GRIA1GRIA3PDE4D
SCHEMBL1884829 0.74 GRIA1 (0.70) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL3667717 0.74 PGR (0.44) KDM4EALDH1A1GLAGAA

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 8 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-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
EP-1871368-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA Eisai Co., Ltd. (JP) 2008-01-02 EP disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
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