SCHEMBL2914508

SCHEMBL2914508

COc1cc(F)c([C@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)O)ccc2S(=O)(=O)C(C)C)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.79
F3 P13726 20/20 0.79
F2 P00734 9/20 0.79
F10 P00742 9/20 0.79
F11 P03951 9/20 0.79
KLK1 P06870 1/20 0.74

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
SCHEMBL2911918 1.00 F7 (0.79) F7F3F2F10F11
SCHEMBL2917283 0.97 F7 (0.83) F7F3F2F10F11
SCHEMBL2917801 0.97 F7 (0.83) F7F3F2F10F11
SCHEMBL2908469 0.97 F7 (0.82) F7F3F2F10F11
SCHEMBL2911763 0.95 F7 (0.88) F7F3F2F10F11
SCHEMBL2916835 0.95 F7 (0.88) F7F3F2F10F11
SCHEMBL2911762 0.95 F7 (0.88) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2908883 0.93 F7 (0.82) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2914877 0.93 F7 (0.82) F7F3F2F10F11
SCHEMBL2911672 0.93 F7 (0.90) 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
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP claimed