SCHEMBL13613589

SCHEMBL13613589

COC(=O)C(Nc1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc2c1)c1cc(OC)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.39
F3 P13726 11/20 0.39
F2 P00734 8/20 0.39
F10 P00742 8/20 0.39
F11 P03951 8/20 0.39
NR1H4 Q96RI1 2/20 0.37
MET P08581 3/20 0.33
KDR P35968 2/20 0.33
KLK1 P06870 1/20 0.31
AKT1 P31749 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL4332030 0.93 F7 (0.39) F7F3F2F10F11
SCHEMBL2916733 0.89 F7 (0.36) F7F3F2F10F11
SCHEMBL2908389 0.88 F7 (0.35) F7F3F2F10F11
SCHEMBL2853599 0.87 F7 (0.36) F7F3F2F10F11
SCHEMBL2915392 0.86 F7 (0.44) F7F3F2F10F11
SCHEMBL2912583 0.85 F7 (0.40) F7F3F2F10F11
SCHEMBL4761375 0.85 NR1H4 (0.37) F7F3F2F10F11
SCHEMBL4332034 0.85 F7 (0.37) F7F3F2F10F11
SCHEMBL2846745 0.83 F7 (0.44) F7F3F2F10F11
SCHEMBL2916691 0.83 F7 (0.35) F7F3F2F10F11

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