SCHEMBL3672899

SCHEMBL3672899

O=c1[nH]cc(-c2ccccn2)c(-c2ccccc2)c1-c1cccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
TGFBR1 P36897 1/20 0.35
CHEK1 O14757 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
DHODH Q02127 1/20 0.35
BTK Q06187 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GSK3B P49841 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
SCHEMBL3667347 0.89 MAPK14 (0.42) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3667468 0.87 PARP1 (0.45) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3666596 0.85 CYP2A6 (0.37) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3665777 0.84 CCNE1 (0.40) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3668802 0.82 PRMT5 (0.38) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL6674838 0.81 CYP2A6 (0.55) CYP2A6PARP1SMN1; SMN2TGFBR1CDC7
SCHEMBL2918049 0.81 GRIA1 (0.47) PARP1SMN1; SMN2HTTATMCHEK1
Water SCHEMBL4777584 0.81 GRIA1 (0.47) PARP1SMN1; SMN2HTTATMCHEK1
SCHEMBL6679862 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTATMNPC1LMNA
SCHEMBL2923277 0.79 HTT (0.36) CYP2A6PARP1SMN1; SMN2HTTATM

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-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-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