SCHEMBL14348282

SCHEMBL14348282

COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5S(=O)(=O)OC)CC4)cc2)CC3)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.87
F2 P00734 1/20 0.63

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
SCHEMBL5644062 0.93 F10 (1.00) F10F2
SCHEMBL5643152 0.88 F10 (1.00) F10F2
SCHEMBL5641161 0.81 F10 (1.00) F10F2
SCHEMBL5642415 0.81 F10 (1.00) F10F2
SCHEMBL5643521 0.80 F10 (1.00) F10F2
SCHEMBL5643530 0.80 F10 (1.00) F10F2
SCHEMBL5642469 0.80 F10 (1.00) F10F2
SCHEMBL5642624 0.80 F10 (1.00) F10F2
SCHEMBL4593689 0.80 F10 (0.74) F10F2
SCHEMBL5642440 0.79 F10 (1.00) F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed