SCHEMBL7565416

SCHEMBL7565416

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
TRPA1 O75762 2/20 0.37
PPARG P37231 2/20 0.34
KIF11 P52732 7/20 0.34
RXRA P19793 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KCNH2 Q12809 1/20 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
SCHEMBL7565411 1.00 ACHE (0.42) ACHETRPA1PPARGKIF11RXRA
SCHEMBL7565418 1.00 ACHE (0.42) ACHETRPA1PPARGKIF11RXRA
SCHEMBL7565468 0.87 ACHE (0.41) ACHEPPARGKIF11CA1CA2
SCHEMBL6758373 0.87 MAOA (0.43) ACHEKIF11CA1CA2KCNH2
SCHEMBL7565460 0.87 ACHE (0.41) ACHEPPARGKIF11CA1CA2
SCHEMBL6758376 0.87 MAOA (0.43) ACHEKIF11CA1CA2KCNH2
SCHEMBL6758377 0.87 MAOA (0.43) ACHEKIF11CA1CA2KCNH2
SCHEMBL7565473 0.87 ACHE (0.41) ACHEPPARGKIF11CA1CA2
SCHEMBL7566726 0.85 ACHE (0.39) ACHEKIF11
SCHEMBL7566717 0.85 ACHE (0.39) ACHEKIF11

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 8 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
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