SCHEMBL6594137

SCHEMBL6594137

CCOC(=O)C(CCC(N)=O)Oc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
F2 P00734 7/20 0.45
PTGER1 P34995 2/20 0.34
PLAU P00749 6/20 0.33
PLG P00747 5/20 0.33
PLAT P00750 4/20 0.33
F7 P08709 1/20 0.32
F3 P13726 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
SCHEMBL6593272 0.92 F2 (0.42) F10F2PTGER1PLAUPLG
SCHEMBL6591144 0.92 F10 (0.44) F10F2PTGER1PLAUPLG
SCHEMBL6593709 0.91 F10 (0.45) F10F2F7F3
SCHEMBL6594847 0.89 F10 (0.49) F10F2PTGER1PLAUPLG
SCHEMBL6593254 0.89 F10 (0.44) F10F2PTGER1PLAUPLG
SCHEMBL6593401 0.89 F2 (0.44) F10F2PTGER1PLAUPLG
SCHEMBL7415430 0.88 F2 (0.41) F10F2PTGER1PLAUPLG
SCHEMBL6592883 0.88 F2 (0.43) F10F2PTGER1PLAUPLG
SCHEMBL6593359 0.86 F10 (0.46) F10F2PTGER1PLAUPLG
SCHEMBL7414461 0.84 F2 (0.49) F10F2PTGER1PLAUPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888271-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-04-28 EP disclosed
US-6242454-B1 Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants BERLEX LABORATORIES INC. 2001-06-05 US disclosed
US-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed