SCHEMBL3665776

SCHEMBL3665776

O=c1ccccn1-c1cc(-c2ccccn2)cc(-c2ccccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
TGFBR1 P36897 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 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
SCHEMBL3666593 0.89 GRM5 (0.38) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3667343 0.85 GRM5 (0.47) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3672898 0.85 PDE4D (0.38) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3667467 0.83 GRM5 (0.42) GRM5GRIA1GRIA3PDE4DKDM5B
Water SCHEMBL4777578 0.82 GRIA1 (0.56) GRM5TGFBR1GRIA1GRIA3PDE4D
SCHEMBL6679859 0.82 GRM5 (0.49) GRM5DCTPP1
SCHEMBL2918046 0.82 GRIA1 (0.56) GRM5TGFBR1GRIA1GRIA3PDE4D
SCHEMBL3668801 0.81 GRIA1 (0.45) GRM5TGFBR1GRIA1GRIA3PDE4D
SCHEMBL4372509 0.80 CHEK2 (0.41) GRM5TGFBR1GRIA1GRIA3PDE4D
SCHEMBL3667668 0.79 GRM5 (0.53) GRM5GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254577-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN Eisai R&D Management Co., Ltd. (JP) 2010-12-01 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
EP-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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-2009082039-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN 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
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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