SCHEMBL2919262

SCHEMBL2919262

CC(C)S(=O)(=O)c1ccc(NC(=O)O)cc1[C@H]1CCCN1C(=O)[C@@H](Nc1ccc2c(N)nccc2c1)c1ccccc1F

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.78
F3 P13726 20/20 0.78
F2 P00734 9/20 0.78
F10 P00742 9/20 0.78
F11 P03951 9/20 0.78
KLK1 P06870 1/20 0.66

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
SCHEMBL2917340 1.00 F7 (0.78) F7F3F2F10F11
SCHEMBL2914377 0.94 F7 (0.86) F7F3F2F10F11
SCHEMBL2915488 0.94 F7 (0.86) F7F3F2F10F11
SCHEMBL2914373 0.94 F7 (0.86) F7F3F2F10F11
SCHEMBL2908843 0.93 F7 (0.79) F7F3F2F10F11
SCHEMBL2916727 0.93 F7 (0.89) F7F3F2F10F11
SCHEMBL2916760 0.93 F7 (0.79) F7F3F2F10F11
SCHEMBL2915111 0.93 F7 (0.89) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2911771 0.92 F7 (0.80) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2908392 0.92 F7 (0.80) 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