SCHEMBL6593065

SCHEMBL6593065

CCOC(=O)C(CC(N)=O)Oc1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.36
F2 P00734 2/20 0.36
FFAR1 O14842 7/20 0.36
PLAU P00749 4/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
PTGER1 P34995 2/20 0.35
ICMT O60725 2/20 0.34

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
SCHEMBL6587306 0.95 FFAR1 (0.39) F10F2FFAR1PLAUPLG
SCHEMBL6596620 0.93 PTGER1 (0.36) F10F2FFAR1PLAUPLG
SCHEMBL6596352 0.92 F10 (0.35) F10F2FFAR1PLAUPLG
SCHEMBL6592628 0.92 ICMT (0.36) F10F2FFAR1PLAUPLG
SCHEMBL6592361 0.89 ICMT (0.38) F10F2FFAR1PLAUPLG
SCHEMBL6587497 0.89 F10 (0.36) F10F2
SCHEMBL6596602 0.88 F2 (0.37) F10F2FFAR1PLAUPLG
SCHEMBL6593256 0.88 MAPT (0.36) F10F2PTGER1
SCHEMBL6592357 0.86 F10 (0.36) F10F2FFAR1PLAUPLG
SCHEMBL6595958 0.84 MRGPRX4 (0.38) FFAR1PTGER1

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