SCHEMBL3802038

SCHEMBL3802038

N#Cc1ccccc1-c1cc(-c2cccc(N3CCOCC3)n2)cc(-n2ccccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKDC P78527 1/20 0.39
AKT1 P31749 2/20 0.38
JAK2 O60674 2/20 0.37
TYK2 P29597 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PIM1 P11309 5/20 0.36
SMG1 Q96Q15 1/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
SLC2A2 P11168 1/20 0.35
PDE4D Q08499 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL3666758 0.80 GRIA1 (0.39) PDE4D
SCHEMBL3677711 0.80 GABRA1 (0.45) PDE4D
SCHEMBL1883206 0.78 GRIA1 (0.62) HTTATML3MBTL1AKT1KDM4E
SCHEMBL2921712 0.78 TGFBR1 (0.38) PDE4D
SCHEMBL2918046 0.77 GRIA1 (0.56) PDE4D
Water SCHEMBL4777578 0.77 GRIA1 (0.56) PDE4D
SCHEMBL4379556 0.74 ADORA2A (0.35) PDE4D
SCHEMBL3681524 0.72 CYP11B1 (0.45) PDE4D
SCHEMBL3672704 0.71 GABRG2 (0.43) PDE4D
SCHEMBL3676538 0.71 PTPRC (0.39) PDE4D

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 6 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-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-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