SCHEMBL7568417

SCHEMBL7568417

CCCC1CC(=O)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MAOB P27338 13/20 0.36
PARK7 Q99497 1/20 0.36
HTR2C P28335 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL7563771 0.89 ACHE (0.44) ACHEMAOBPARK7HTR2C
SCHEMBL28108222 0.81 ACHE (0.39) ACHEMAOBHTR2C
SCHEMBL2418665 0.79 FFAR1 (0.44) ACHEMAOB
SCHEMBL7566360 0.76 TRPA1 (0.36) ACHE
SCHEMBL7566366 0.76 TRPA1 (0.36) ACHE
SCHEMBL7566372 0.76 TRPA1 (0.36) ACHE
SCHEMBL8143490 0.76 MAOA (0.39) ACHEMAOB
SCHEMBL8143488 0.76 MAOA (0.39) ACHEMAOB
SCHEMBL7565845 0.76 FFAR4 (0.34) ACHE
SCHEMBL7565855 0.76 FFAR4 (0.34) ACHE

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