SCHEMBL12220232

SCHEMBL12220232

COC(=O)Nc1ccc(S(C)(=O)=O)c([C@H]2CCCN2C(=O)C(Nc2cc(C)c3c(c2)C(=O)NC3)c2ccc(OC)c(C)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.82
F3 P13726 20/20 0.82
PLG P00747 1/20 0.60

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
SCHEMBL12220229 0.95 F7 (0.80) F7F3PLG
SCHEMBL12241604 0.90 F7 (0.87) F7F3PLG
SCHEMBL2527336 0.90 F7 (1.00) F7F3PLG
SCHEMBL3834872 0.90 F7 (1.00) F7F3PLG
SCHEMBL12220224 0.86 F7 (0.66) F7F3PLG
SCHEMBL12243341 0.84 F7 (0.87) F7F3PLG
SCHEMBL12220233 0.84 F7 (0.80) F7F3PLG
SCHEMBL2528430 0.84 F7 (1.00) F7F3PLG
SCHEMBL8189376 0.81 F7 (0.88) F7F3
SCHEMBL2528779 0.80 F7 (1.00) F7F3PLG

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-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed