SCHEMBL3666528

SCHEMBL3666528

O=C(CS(=O)(=O)c1cc(Cl)ccc1-n1cnnn1)N[C@H](CNc1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F11 P03951 18/20 0.52
KLK1 P06870 8/20 0.51
F9 P00740 2/20 0.51
KLKB1 P03952 8/20 0.48

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
SCHEMBL3004445 0.87 F11 (0.59) F11KLK1F9KLKB1
SCHEMBL3004443 0.87 F11 (0.59) F11KLK1F9KLKB1
SCHEMBL3668964 0.85 F9 (0.52) F11KLK1F9KLKB1
SCHEMBL28974397 0.82 F9 (0.55) F11KLK1F9KLKB1
SCHEMBL3664533 0.80 F11 (0.66) F11F9KLKB1
SCHEMBL3004448 0.75 F11 (0.49) F11KLK1F9KLKB1
SCHEMBL3664441 0.74 F11 (0.62) F11KLKB1
SCHEMBL3665491 0.74 F11 (0.47) F11KLK1F9KLKB1
SCHEMBL3664443 0.74 F11 (0.62) F11KLKB1
SCHEMBL3665318 0.74 F11 (0.58) F11KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed