SCHEMBL3666593

SCHEMBL3666593

O=c1ccccn1-c1cc(-c2ccccn2)cc(-c2cccnc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.38
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
DHODH Q02127 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
CYP2A6 P11509 1/20 0.36
TNKS O95271 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
SCHEMBL3665776 0.89 GRM5 (0.48) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3672898 0.86 PDE4D (0.38) GRM5GRIA1GRIA3PDE4DDHODH
SCHEMBL3667343 0.84 GRM5 (0.47) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3668801 0.82 GRIA1 (0.45) GRM5GRIA1GRIA3PDE4DCYP2A6
SCHEMBL3667467 0.82 GRM5 (0.42) GRM5GRIA1GRIA3PDE4DBACE1
SCHEMBL4372509 0.81 CHEK2 (0.41) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL6679859 0.81 GRM5 (0.49) GRM5
SCHEMBL2918046 0.81 GRIA1 (0.56) GRM5GRIA1GRIA3PDE4D
Water SCHEMBL4777578 0.81 GRIA1 (0.56) GRM5GRIA1GRIA3PDE4D
SCHEMBL6674834 0.79 CYP2A6 (0.57) GRM5CYP2A6

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-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 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
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 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-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 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