SCHEMBL7495334

SCHEMBL7495334

CCOC(=O)C1CCCC1Nc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.43
F2 P00734 7/20 0.43
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
PTGER1 P34995 2/20 0.34
PLG P00747 3/20 0.34
PLAU P00749 3/20 0.34
PLAT P00750 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
POLB P06746 1/20 0.33
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
SCHEMBL7490737 0.99 F10 (0.43) F10F2AXLMERTKPTGER1
SCHEMBL7485658 0.93 F2 (0.42) F10F2PTGER1PLGPLAU
SCHEMBL7483083 0.90 F2 (0.44) F10F2PTGER1TRPM8
SCHEMBL7494292 0.90 F2 (0.43) F10F2PTGER1PLGPLAU
SCHEMBL7414321 0.90 F2 (0.48) F10F2AXLMERTKPTGER1
SCHEMBL7480751 0.89 F2 (0.46) F10F2PTGER1PLGPLAU
SCHEMBL7414763 0.88 F2 (0.48) F10F2PTGER1PLGPLAU
SCHEMBL7488722 0.88 F10 (0.44) F10F2PTGER1PLGPLAU
SCHEMBL7492445 0.87 F2 (0.46) F10F2PTGER1PLGPLAU
SCHEMBL7418994 0.86 F2 (0.53) 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