SCHEMBL13628657

SCHEMBL13628657

COC(=O)Nc1ccc(S)c([C@H]2CCCN2C(=O)[C@H](Oc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.64
F3 P13726 20/20 0.64
F2 P00734 9/20 0.64
F10 P00742 9/20 0.64
F11 P03951 9/20 0.64
KLK1 P06870 1/20 0.64

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
SCHEMBL13628901 1.00 F7 (0.64) F7F3F2F10F11
SCHEMBL13627879 0.90 F7 (0.57) F7F3F2F10F11
SCHEMBL13628133 0.90 F7 (0.57) F7F3F2F10F11
SCHEMBL2911500 0.89 F7 (0.81) F7F3F2F10F11
SCHEMBL2908829 0.89 F7 (0.81) F7F3F2F10F11
SCHEMBL2908832 0.89 F7 (0.81) F7F3F2F10F11
SCHEMBL13627854 0.89 F7 (0.80) F7F3F2F10F11
SCHEMBL13628120 0.89 F7 (0.80) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2916094 0.85 F7 (0.75) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2913475 0.85 F7 (0.75) 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