SCHEMBL3668964

SCHEMBL3668964

O=C(COc1cc(Cl)ccc1-n1cnnn1)N[C@H](CNc1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.52
F11 P03951 18/20 0.51
KLK1 P06870 10/20 0.50
KLKB1 P03952 5/20 0.47

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
SCHEMBL3010276 0.86 F11 (0.60) F9F11KLK1KLKB1
SCHEMBL3010272 0.86 F11 (0.60) F9F11KLK1KLKB1
SCHEMBL3666528 0.85 F11 (0.52) F9F11KLK1KLKB1
SCHEMBL28974397 0.82 F9 (0.55) F9F11KLK1KLKB1
SCHEMBL3664533 0.81 F11 (0.66) F9F11KLKB1
SCHEMBL3665318 0.75 F11 (0.58) F11KLKB1
SCHEMBL3665316 0.75 F11 (0.58) F11KLKB1
SCHEMBL3665491 0.75 F11 (0.47) F9F11KLK1KLKB1
SCHEMBL3010278 0.75 F11 (0.52) F9F11KLK1KLKB1
SCHEMBL3662450 0.74 F11 (0.63) F9F11KLKB1

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