SCHEMBL6756019

SCHEMBL6756019

NC(=O)C=C1CCCc2ccc(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LOX P28300 1/20 0.52
RXRA P19793 3/20 0.43
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MAPT P10636 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
SRD5A1 P18405 1/20 0.35
HTT P42858 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
SCHEMBL6756016 1.00 MAOA (0.52) MAOAMAOBLOXRXRAPARP1
SCHEMBL6756018 1.00 MAOA (0.52) MAOAMAOBLOXRXRAPARP1
SCHEMBL6757637 0.91 MAOA (0.59) MAOAMAOBLOXPARP1PARP10
SCHEMBL6757633 0.91 MAOA (0.59) MAOAMAOBLOXPARP1PARP10
SCHEMBL6757629 0.91 MAOA (0.59) MAOAMAOBLOXPARP1PARP10
SCHEMBL7572145 0.86 RXRA (0.46) MAOAMAOBLOXRXRAPARP1
SCHEMBL7572139 0.86 RXRA (0.46) MAOAMAOBLOXRXRAPARP1
SCHEMBL7572142 0.86 RXRA (0.46) MAOAMAOBLOXRXRAPARP1
SCHEMBL7573694 0.85 RXRA (0.40) MAOAMAOBLOXRXRAPARP1
SCHEMBL7573686 0.85 RXRA (0.40) MAOAMAOBLOXRXRAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 EP claimed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US claimed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP 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-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed