SCHEMBL3664526

SCHEMBL3664526

CCn1ccc(CC(CNc2ccc(C(=O)O)cn2)NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.48
KLKB1 P03952 4/20 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
SCHEMBL3664522 1.00 F11 (0.48) F11KLKB1
SCHEMBL3668595 0.94 F11 (0.43) F11KLKB1
SCHEMBL3668598 0.94 F11 (0.43) F11KLKB1
SCHEMBL3668790 0.91 F11 (0.55) F11KLKB1
SCHEMBL3014183 0.89 F11 (0.56) F11KLKB1
SCHEMBL3014178 0.89 F11 (0.56) F11KLKB1
SCHEMBL3014172 0.89 F11 (0.56) F11KLKB1
SCHEMBL3667376 0.87 F11 (0.49) F11KLKB1
SCHEMBL3667377 0.87 F11 (0.49) F11KLKB1
SCHEMBL3666307 0.87 F11 (0.49) 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