SCHEMBL13627829

SCHEMBL13627829

CC(=O)Nc1ccc(S)c([C@H]2CCCN2C(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.79
F3 P13726 19/20 0.79
F2 P00734 10/20 0.68
F10 P00742 10/20 0.68
F11 P03951 10/20 0.68
KLK1 P06870 1/20 0.56
F9 P00740 1/20 0.41

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
SCHEMBL13627853 0.93 F7 (0.79) F7F3F2F10F11
SCHEMBL13627828 0.93 F7 (0.79) F7F3F2F10F11
SCHEMBL2916183 0.88 F7 (1.00) F7F3F2F10F11
SCHEMBL2917017 0.88 F7 (1.00) F7F3F2F10F11
SCHEMBL2911618 0.88 F7 (1.00) F7F3F2F10F11
SCHEMBL13628024 0.87 F7 (0.73) F7F3F2F10F11
SCHEMBL13628036 0.86 F7 (0.62) F7F3F2F10F11
SCHEMBL13627866 0.86 F7 (0.69) F7F3F2F10F11
SCHEMBL13628039 0.86 F7 (0.64) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2908788 0.85 F7 (0.92) 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