SCHEMBL3672898

SCHEMBL3672898

O=c1ccccn1-c1cc(-c2ccccn2)cc(-c2cccnc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
DHODH Q02127 1/20 0.37
GRM5 P41594 4/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.36
KDM5B Q9UGL1 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 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
SCHEMBL3667343 0.90 GRM5 (0.47) PDE4DGRIA1GRIA3GRM5MAPK14
SCHEMBL3666593 0.86 GRM5 (0.38) PDE4DGRIA1GRIA3DHODHGRM5
SCHEMBL3665776 0.85 GRM5 (0.48) PDE4DGRIA1GRIA3GRM5KDM5B
SCHEMBL3668801 0.83 GRIA1 (0.45) PDE4DGRIA1GRIA3GRM5CYP2A6
SCHEMBL3667467 0.83 GRM5 (0.42) PDE4DGRIA1GRIA3GRM5CYP2A6
SCHEMBL4372509 0.82 CHEK2 (0.41) PDE4DGRIA1GRIA3GRM5CYP2A6
SCHEMBL6679859 0.82 GRM5 (0.49) GRM5NPC1PKMRAB9A
SCHEMBL2918046 0.82 GRIA1 (0.56) PDE4DGRIA1GRIA3GRM5
Water SCHEMBL4777578 0.82 GRIA1 (0.56) PDE4DGRIA1GRIA3GRM5
SCHEMBL6674834 0.80 CYP2A6 (0.57) GRM5CYP2A6NPC1MAPTPKM

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 9 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-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
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-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
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-B1 PHARMACEUTICAL COMPOSITIONS (KIT) COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY (OR AN ANTIINFLAMMATORY) AGENT AND THEIR USES EISAI R&D MAN CO LTD (JP) 2008-09-03 EP disclosed