SCHEMBL7490303

SCHEMBL7490303

CCOC(=O)C1CCCN1c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.44
F10 P00742 6/20 0.44
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLG P00747 3/20 0.36
PLAU P00749 3/20 0.36
PLAT P00750 3/20 0.36
PTGER1 P34995 1/20 0.35
PDCD1 Q15116 5/20 0.35
CD274 Q9NZQ7 5/20 0.35

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
SCHEMBL7416412 0.91 F2 (0.42) F2F10POLBPLGPLAU
SCHEMBL7491254 0.90 F2 (0.44) F2F10POLBPLGPLAU
SCHEMBL7422372 0.89 F2 (0.46) F2F10PLGPLAUPLAT
SCHEMBL7487963 0.88 F2 (0.42) F2F10PLGPLAUPLAT
SCHEMBL7491015 0.87 F2 (0.43) F2F10PLGPLAUPLAT
SCHEMBL7416919 0.87 F2 (0.42) F2F10PLGPLAUPLAT
SCHEMBL7492445 0.87 F2 (0.46) F2F10POLBMEN1KMT2A
SCHEMBL7480751 0.87 F2 (0.46) F2F10POLBPLGPLAU
SCHEMBL7496461 0.86 F2 (0.47) F2F10PLGPLAUPLAT
SCHEMBL7414763 0.86 F2 (0.48) F2F10POLBMEN1KMT2A

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