SCHEMBL13613703

SCHEMBL13613703

COC(=O)C(Nc1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc2c1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.40
F3 P13726 20/20 0.40
F10 P00742 16/20 0.39
F2 P00734 14/20 0.39
F11 P03951 8/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39

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
SCHEMBL3012371 0.93 F7 (0.42) F7F3F10F2F11
SCHEMBL2850817 0.89 F7 (0.44) F7F3F10F2F11
SCHEMBL3012374 0.84 F7 (0.40) F7F3F10F2F11
SCHEMBL13613687 0.83 F7 (0.39) F7F3F10F2F11
SCHEMBL2853520 0.83 F7 (0.42) F7F3F10F2F11
SCHEMBL2855262 0.83 F7 (0.42) F7F3F10F2F11
SCHEMBL2851050 0.82 F7 (0.36) F7F3F10F2F11
SCHEMBL2846745 0.81 F7 (0.44) F7F3F10F2F11
SCHEMBL2848673 0.81 F7 (0.43) F7F3F10F2F11
SCHEMBL5006791 0.81 F7 (0.39) F7F3F10F2F11

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-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed