SCHEMBL7564413

SCHEMBL7564413

NC(=O)CC1CC(=O)c2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
MAOB P27338 9/20 0.38
PSMB5 P28074 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDE5A O76074 1/20 0.34

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
SCHEMBL7564602 0.87 MAOB (0.40) HTR2CMAOBPSMB5SIGMAR1
SCHEMBL7566602 0.85 HTR2C (0.39) HTR2CMAOBPSMB5SIGMAR1PDE5A
SCHEMBL6461145 0.79 SIGMAR1 (0.53) MAOBPSMB5SIGMAR1PDE5A
SCHEMBL5740049 0.78 HSD17B10 (0.50) HTR2CSIGMAR1
SCHEMBL7567406 0.77 RIPK1 (0.32) MAOB
SCHEMBL31753155 0.73 EDNRB (0.43) PDE5A
SCHEMBL5156270 0.72 MAOB (0.43) MAOB
SCHEMBL13961367 0.71 HSD17B10 (0.35) MAOB
SCHEMBL6693938 0.71 TACR2 (0.40) KDM1AKDM1B
SCHEMBL15094741 0.69 ACHE (0.50) HTR2CMAOB

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 10 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
CN-1041720-C Bicyclic amide derivatives, preparation method thereof, pharmaceutical composition and pharmaceutical application thereof WELLCOME FOUND (GB) 1999-01-20 CN disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 CN 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