SCHEMBL6758376

SCHEMBL6758376

CC1C/C(=C/C(N)=O)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LOX P28300 1/20 0.43
ACHE P22303 1/20 0.41
NOTUM Q6P988 2/20 0.36
PARP1 P09874 1/20 0.33
KIF11 P52732 5/20 0.32
KCNH2 Q12809 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC9A1 P19634 4/20 0.32
SLC9A2 Q9UBY0 4/20 0.32
SLC9A3 P48764 2/20 0.32

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
SCHEMBL6758373 1.00 MAOA (0.43) MAOAMAOBLOXACHENOTUM
SCHEMBL6758377 1.00 MAOA (0.43) MAOAMAOBLOXACHENOTUM
SCHEMBL7565411 0.87 ACHE (0.42) ACHEKIF11KCNH2CA1CA2
SCHEMBL7565416 0.87 ACHE (0.42) ACHEKIF11KCNH2CA1CA2
SCHEMBL7565418 0.87 ACHE (0.42) ACHEKIF11KCNH2CA1CA2
SCHEMBL7565468 0.86 ACHE (0.41) ACHENOTUMKIF11KCNH2CA1
SCHEMBL7565473 0.86 ACHE (0.41) ACHENOTUMKIF11KCNH2CA1
SCHEMBL7565460 0.86 ACHE (0.41) ACHENOTUMKIF11KCNH2CA1
SCHEMBL6758222 0.85 MAOA (0.46) MAOAMAOBLOXACHEPARP1
SCHEMBL6758224 0.85 MAOA (0.46) MAOAMAOBLOXACHEPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP claimed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US 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
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 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-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP disclosed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed