SCHEMBL3665491

SCHEMBL3665491

NC(=O)c1ccc(NC[C@H](Cc2ccccc2)NC(=O)C#Cc2cc(Cl)ccc2-n2cnnn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 18/20 0.47
KLKB1 P03952 7/20 0.47
F9 P00740 1/20 0.47
KLK1 P06870 8/20 0.46
MASP2 O00187 1/20 0.42

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
SCHEMBL2994837 0.87 F11 (0.61) F11KLKB1F9KLK1
SCHEMBL2994833 0.87 F11 (0.61) F11KLKB1F9KLK1
SCHEMBL28974397 0.76 F9 (0.55) F11KLKB1F9KLK1
SCHEMBL3664533 0.75 F11 (0.66) F11KLKB1F9
SCHEMBL3668964 0.75 F9 (0.52) F11KLKB1F9KLK1
SCHEMBL3666528 0.74 F11 (0.52) F11KLKB1F9KLK1
SCHEMBL3663969 0.74 F11 (0.58) F11KLKB1
SCHEMBL13267329 0.74 F11 (0.64) F11KLKB1F9KLK1
SCHEMBL3664217 0.72 F11 (0.76) F11KLKB1F9
SCHEMBL3671633 0.72 F11 (0.62) F11KLKB1F9

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