SCHEMBL6592182

SCHEMBL6592182

CCOC(=O)C(CCCNC(=N)N)N(C)c1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.37
F10 P00742 9/20 0.37
F3 P13726 12/20 0.35
F7 P08709 3/20 0.34
F11 P03951 1/20 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
SCHEMBL6590932 0.90 F10 (0.35) F2F10F3F7F11
SCHEMBL6596602 0.89 F2 (0.37) F2F10F3
SCHEMBL6591583 0.89 F2 (0.48) F2F10F3F7F11
SCHEMBL6587497 0.89 F10 (0.36) F2F10F3F7F11
SCHEMBL6590237 0.89 F2 (0.36) F2F10F3
SCHEMBL6591343 0.88 FFAR1 (0.38) F2F10
SCHEMBL6594081 0.86 F3 (0.33) F2F10F3F7F11
SCHEMBL6588980 0.85 F7 (0.40) F2F10F3F7F11
SCHEMBL7414064 0.85 F2 (0.37) F2F10F3F7
SCHEMBL7414067 0.83 F10 (0.36) F2F10F3F7

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 4 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