SCHEMBL7565473

SCHEMBL7565473

CC1CC(=CC(=O)Cl)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ABL1 P00519 2/20 0.31
KIF11 P52732 5/20 0.31
NOTUM Q6P988 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
TGM2 P21980 1/20 0.31
CASP3 P42574 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
POLB P06746 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
SCHEMBL7565460 1.00 ACHE (0.41) ACHECA1CA2ABL1KIF11
SCHEMBL7565468 1.00 ACHE (0.41) ACHECA1CA2ABL1KIF11
SCHEMBL7565418 0.87 ACHE (0.42) ACHECA1CA2KIF11PPARG
SCHEMBL7565416 0.87 ACHE (0.42) ACHECA1CA2KIF11PPARG
SCHEMBL7565411 0.87 ACHE (0.42) ACHECA1CA2KIF11PPARG
SCHEMBL6758376 0.86 MAOA (0.43) ACHECA1CA2KIF11NOTUM
SCHEMBL6758373 0.86 MAOA (0.43) ACHECA1CA2KIF11NOTUM
SCHEMBL6758377 0.86 MAOA (0.43) ACHECA1CA2KIF11NOTUM
SCHEMBL7566722 0.83 ACHE (0.39) ACHEABL1KIF11
SCHEMBL7566717 0.83 ACHE (0.39) ACHEABL1KIF11

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-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed