SCHEMBL7494259

SCHEMBL7494259

CCOC(=O)C1(Nc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.44
F2 P00734 7/20 0.44
PTGER1 P34995 2/20 0.34
PLG P00747 3/20 0.34
PLAU P00749 3/20 0.34
PLAT P00750 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL7491010 0.93 F2 (0.42) F10F2PTGER1PLGPLAU
SCHEMBL7492995 0.89 F10 (0.42) F10F2PTGER1PLGPLAU
SCHEMBL7483993 0.88 F10 (0.47) F10F2PTGER1PLGPLAU
SCHEMBL7413956 0.88 F10 (0.41) F10F2PTGER1PLGPLAU
SCHEMBL7485110 0.87 F10 (0.47) F10F2PTGER1PLGPLAU
SCHEMBL7490911 0.85 F10 (0.46) F10F2PTGER1PLGPLAU
SCHEMBL7494292 0.85 F2 (0.43) F10F2PTGER1PLGPLAU
SCHEMBL7488557 0.84 F10 (0.46) F10F2PTGER1PLGPLAU
SCHEMBL7495334 0.84 F10 (0.43) F10F2PTGER1PLGPLAU
SCHEMBL7490737 0.84 F10 (0.43) F10F2PTGER1PLGPLAU

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 5 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-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US 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