SCHEMBL6760228

SCHEMBL6760228

NC(=O)/C=C1/CCc2c(Cl)cc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
LOX P28300 1/20 0.55
NOTUM Q6P988 3/20 0.43
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL6760224 1.00 MAOA (0.55) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL6760231 1.00 MAOA (0.55) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361275 0.85 NOTUM (0.48) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361321 0.85 NOTUM (0.44) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361268 0.85 NOTUM (0.48) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361323 0.85 NOTUM (0.44) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361320 0.85 NOTUM (0.44) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL8361276 0.85 NOTUM (0.48) MAOAMAOBLOXNOTUMAKR1C4
SCHEMBL6754715 0.84 MAOA (0.73) MAOAMAOBLOXNOTUM
SCHEMBL6754717 0.84 MAOA (0.73) MAOAMAOBLOXNOTUM

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759026-B1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE WELLCOME FOUND (GB) 1999-08-18 EP claimed
US-5708033-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS OR ANALGESICS GLAXO WELLCOME INC. (US) 1998-01-13 US claimed
EP-0759026-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP claimed
WO-1995030645-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO claimed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO claimed
US-20040116405-A1 Use of bicyclic esters or amides for the treatment of diseases responsive to enhanced potassium channel activity GLAXO GROUP LIMITED (GB) 2004-06-17 US disclosed
EP-1358150-A1 USE OF BICYCLIC ESTERS OR AMIDES FOR THE TREATMENT OF DISEASES RESPONSIVE TO ENHANCED POTASSIUM CHANNEL ACTIVITY GLAXO GROUP LIMITED (GB) 2003-11-05 EP disclosed
WO-2002062745-A1 USE OF BICYCLIC ESTERS OR AMIDES FOR THE TREATMENT OF DISEASES RESPONSIVE TO ENHANCED POTASSIUM CHANNEL ACTIVITY GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed
EP-0759026-B1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE WELLCOME FOUND (GB) 1999-08-18 EP disclosed
US-5708033-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS OR ANALGESICS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
EP-0759026-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP disclosed
WO-1995030645-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed