SCHEMBL3667717

SCHEMBL3667717

COc1ccccc1-c1cc(-c2ccccc2C#N)cc(-n2ccccc2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
AR P10275 2/20 0.44
FASN P49327 1/20 0.42
TNKS2 Q9H2K2 1/20 0.39
PKM P14618 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
KCNN4 O15554 1/20 0.38
FFAR2 O15552 1/20 0.38
CREBBP Q92793 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
AGTR1 P30556 1/20 0.37

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
SCHEMBL3976462 0.89 PIK3CG (0.41) PGRARKDM4EALDH1A1GLA
SCHEMBL2921712 0.82 TGFBR1 (0.38)
SCHEMBL2950143 0.82 AVPR2 (0.43) GRIN1GRIN2B
SCHEMBL3681524 0.81 CYP11B1 (0.45) TNKS2PTPRCPTPN1
SCHEMBL3668910 0.80 GABRA1 (0.36) KDM4EALDH1A1GLAGAA
SCHEMBL3676538 0.78 PTPRC (0.39) PTPRCMAOB
SCHEMBL2918046 0.78 GRIA1 (0.56)
SCHEMBL3672343 0.78 PIM1 (0.38) KDM4EALDH1A1MAOAMAOB
Water SCHEMBL4777578 0.78 GRIA1 (0.56)
SCHEMBL6679859 0.78 GRM5 (0.49) PKMPTPRCPTPN1HTTKDM4E

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-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 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-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 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-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed