SCHEMBL13628133

SCHEMBL13628133

COC(=O)Nc1ccc(S)c([C@H]2CCCN2C(=O)[C@@H](Oc2ccc3c(N)nccc3c2)c2cc(OC)c(OC)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.57
F3 P13726 20/20 0.57
F2 P00734 9/20 0.57
F10 P00742 9/20 0.57
F11 P03951 9/20 0.57
KLK1 P06870 1/20 0.55
PLG P00747 1/20 0.38

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
SCHEMBL13627879 1.00 F7 (0.57) F7F3F2F10F11
SCHEMBL13628901 0.90 F7 (0.64) F7F3F2F10F11
SCHEMBL13628657 0.90 F7 (0.64) F7F3F2F10F11
SCHEMBL2912791 0.89 F7 (0.73) F7F3F2F10F11
SCHEMBL2909496 0.89 F7 (0.73) F7F3F2F10F11
SCHEMBL2909492 0.89 F7 (0.73) F7F3F2F10F11
SCHEMBL13628110 0.89 F7 (0.70) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2909178 0.86 F7 (0.68) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2915840 0.86 F7 (0.68) F7F3F2F10F11
SCHEMBL13628072 0.86 F7 (0.74) 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