SCHEMBL6587819

SCHEMBL6587819

CCOC(=O)C(C)(C)N(CCCCC(N)=O)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.46
F10 P00742 10/20 0.46
PLG P00747 5/20 0.34
PLAU P00749 5/20 0.34
PLAT P00750 4/20 0.33
F3 P13726 3/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGER1 P34995 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
SCHEMBL6592621 0.94 F10 (0.46) F2F10PLGPLAUPLAT
SCHEMBL6591304 0.89 F10 (0.48) F2F10PLGPLAUPLAT
SCHEMBL6593359 0.86 F10 (0.46) F2F10PLGPLAUPLAT
SCHEMBL6594847 0.85 F10 (0.49) F2F10PLGPLAUPLAT
SCHEMBL6589725 0.84 MRGPRX4 (0.34) HDAC6PTGER1
SCHEMBL6592625 0.84 F10 (0.55) F2F10PLGPLAUPLAT
SCHEMBL6597131 0.84 PLAU (0.35) F2F10PLGPLAUPLAT
SCHEMBL6594137 0.83 F10 (0.45) F2F10PLGPLAUPLAT
SCHEMBL6592027 0.83 PLAU (0.34) F2F10PLGPLAUPLAT
SCHEMBL6596445 0.83 PLAU (0.34) F2F10PLGPLAUPLAT

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-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
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed