SCHEMBL3667668

SCHEMBL3667668

COC(=O)c1ccccc1-c1cc(-c2ccccn2)cc(-n2ccccc2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.53
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
AXL P30530 1/20 0.45
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.40
ROCK2 O75116 1/20 0.39
CSF1R P07333 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL6679859 0.83 GRM5 (0.49) GRM5L3MBTL1
SCHEMBL3665776 0.79 GRM5 (0.48) GRM5GABRG2GABRB3GABRA3
SCHEMBL3672898 0.79 PDE4D (0.38) GRM5IDO1MAPTBRD4BRD2
SCHEMBL3667343 0.79 GRM5 (0.47) GRM5ALDH1A1MAPT
SCHEMBL4372509 0.79 CHEK2 (0.41) GRM5F10BRD4BRD2BRD3
SCHEMBL3666593 0.78 GRM5 (0.38) GRM5
SCHEMBL3677987 0.77 ERN1 (0.40) GRM5L3MBTL1KDRFLT3GSK3B
SCHEMBL3667467 0.77 GRM5 (0.42) GRM5L3MBTL1MAPT
Water SCHEMBL4777578 0.76 GRIA1 (0.56) GRM5GABRG2GABRB3GABRA3
SCHEMBL2918046 0.76 GRIA1 (0.56) 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 7 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-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
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-2009054543-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 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