SCHEMBL7564602

SCHEMBL7564602

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
AKR1B1 P15121 1/20 0.40
HTR2C P28335 2/20 0.39
FFAR1 O14842 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PSMB5 P28074 1/20 0.36

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
SCHEMBL7566602 0.87 HTR2C (0.39) MAOBHTR2CSIGMAR1PSMB5
SCHEMBL7564413 0.87 HTR2C (0.39) MAOBHTR2CSIGMAR1PSMB5
SCHEMBL27953676 0.82 FFAR1 (0.43) MAOBFFAR1PTGDR2SIGMAR1
SCHEMBL503654 0.78 SIGMAR1 (0.57) MAOBFFAR1PTGDR2SIGMAR1PSMB5
SCHEMBL569181 0.78 TP53 (0.46) HTR2CFFAR1SIGMAR1
SCHEMBL30978693 0.78 TP53 (0.46) HTR2CFFAR1SIGMAR1
SCHEMBL5156270 0.76 MAOB (0.43) MAOB
SCHEMBL6268218 0.76 HTR2C (0.51) HTR2CSIGMAR1
SCHEMBL4556106 0.74 PPARG (0.48) MAOBAKR1B1PTGDR2
SCHEMBL4556253 0.74 PPARG (0.48) MAOBAKR1B1PTGDR2

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