SCHEMBL7486887

SCHEMBL7486887

CCOC(=O)C1CC(C(=O)OCC)(N(CC)c2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.44
F10 P00742 7/20 0.44
EGFR P00533 2/20 0.33
PLG P00747 4/20 0.33
PLAU P00749 4/20 0.33
PLAT P00750 3/20 0.33
PTGER1 P34995 1/20 0.32
CCR8 P51685 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL7483993 0.93 F10 (0.47) F2F10PLGPLAUPLAT
SCHEMBL7491010 0.89 F2 (0.42) F2F10EGFRPLGPLAU
SCHEMBL7422372 0.88 F2 (0.46) F2F10EGFRPLGPLAU
SCHEMBL7485110 0.87 F10 (0.47) F2F10PLGPLAUPLAT
SCHEMBL7496461 0.87 F2 (0.47) F2F10EGFRPLGPLAU
SCHEMBL7488289 0.87 F2 (0.43) F2F10PLGPLAUPLAT
SCHEMBL7415526 0.85 F2 (0.52) F2F10EGFRPTGER1CCR8
SCHEMBL7415749 0.85 F2 (0.53) F2F10EGFRPLGPLAU
SCHEMBL7487939 0.85 F2 (0.47) F2F10EGFRPLGPLAU
SCHEMBL7493245 0.85 F2 (0.43) F2F10EGFRPLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed