SCHEMBL3667669

SCHEMBL3667669

COC(=O)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccn2)c[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.47
GRM5 P41594 1/20 0.46
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
MAP2K1 Q02750 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
NEK1 Q96PY6 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
SCHEMBL6679862 0.84 SMN1; SMN2 (0.44) GRM5HTTSLKTDP1
SCHEMBL3667468 0.81 PARP1 (0.45) HTT
SCHEMBL3677990 0.78 SMN1; SMN2 (0.44) HTTKDRFLT3GSK3BCDK5
SCHEMBL29694130 0.78 SLC6A3 (0.55) AXLGRM5SLC6A3SLC6A4GABRG2
SCHEMBL5234641 0.78 SLC6A3 (0.55) AXLGRM5SLC6A3SLC6A4GABRG2
SCHEMBL3665777 0.78 CCNE1 (0.40) AXLGRM5HTTKDRGSK3A
SCHEMBL3667347 0.78 MAPK14 (0.42) GRM5HTTGSK3B
SCHEMBL3666596 0.77 CYP2A6 (0.37) HTTROCK2GSK3BIRAK4
SCHEMBL3672899 0.77 CYP2A6 (0.40) HTTGSK3B
SCHEMBL6675174 0.77 HTT (0.39) GRM5HTTGSK3BTDP1

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