SCHEMBL7572369

SCHEMBL7572369

NC(=O)/C=C1/CCc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
LOX P28300 1/20 0.55
CYP11B2 P19099 13/20 0.50
CYP19A1 P11511 10/20 0.50
CYP11B1 P15538 9/20 0.50
SRD5A1 P18405 2/20 0.40
MAPK14 Q16539 1/20 0.37

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
SCHEMBL7572366 1.00 MAOA (0.55) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7572370 1.00 MAOA (0.55) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL6757637 0.87 MAOA (0.59) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL6757633 0.87 MAOA (0.59) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL6757629 0.87 MAOA (0.59) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7564643 0.85 CYP11B2 (0.51) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7564639 0.85 CYP11B2 (0.51) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7564636 0.85 CYP11B2 (0.51) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7566749 0.84 CYP11B2 (0.50) MAOAMAOBLOXCYP11B2CYP19A1
SCHEMBL7566745 0.84 CYP11B2 (0.50) MAOAMAOBLOXCYP11B2CYP19A1

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
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US claimed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO claimed
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