SCHEMBL13628650

SCHEMBL13628650

COC(=O)Nc1ccc([SH](=O)=O)c([C@H]2CCCN2C(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2cc(OC)ccc2F)c1

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 0.58

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
SCHEMBL13628074 0.95 F7 (0.79) F7F3F2F10F11
SCHEMBL13628511 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13627844 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13628654 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13628894 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13628493 0.91 F7 (0.81) F7F3F2F10F11
SCHEMBL13627833 0.91 F7 (0.81) F7F3F2F10F11
SCHEMBL2909075 0.88 F7 (1.00) F7F3F2F10F11
SCHEMBL2911388 0.88 F7 (1.00) F7F3F2F10F11
SCHEMBL2909080 0.88 F7 (1.00) 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