SCHEMBL7566646

SCHEMBL7566646

O=C(Cl)C=C1CCc2c(F)cc(F)cc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.72
MAOB P27338 1/20 0.72
LOX P28300 1/20 0.72
NOTUM Q6P988 2/20 0.33
ERN1 O75460 1/20 0.33
IDO1 P14902 1/20 0.31
TGM2 P21980 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
HTR5A P47898 1/20 0.30

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
SCHEMBL7566643 1.00 MAOA (0.72) MAOAMAOBLOXNOTUMERN1
SCHEMBL7566637 1.00 MAOA (0.72) MAOAMAOBLOXNOTUMERN1
SCHEMBL8361250 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8359304 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8359301 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8361249 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8361252 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8359299 0.86 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL7570211 0.85 MAOA (0.74) MAOAMAOBLOXNOTUMERN1
SCHEMBL7566326 0.85 MAOA (0.74) MAOAMAOBLOXNOTUMERN1

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 6 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 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
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed