SCHEMBL6588980

SCHEMBL6588980

Cn1ccnc1-c1cccc(Oc2nc(Oc3cc(C#N)ccc3OCc3ccccc3)c(F)c(NC(CCCCNC(=N)N)C(=O)O)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.40
F3 P13726 18/20 0.40
F10 P00742 17/20 0.40
F2 P00734 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL6587497 0.87 F10 (0.36) F7F3F10F2F11
SCHEMBL6591713 0.87 F7 (0.36) F7F3F10
SCHEMBL6592182 0.85 F2 (0.37) F7F3F10F2F11
SCHEMBL6591606 0.82 F10 (0.58) F7F3F10F2F11
SCHEMBL7414067 0.79 F10 (0.36) F7F3F10F2
SCHEMBL6591298 0.78 F10 (0.57) F7F3F10F2F11
SCHEMBL6591717 0.78 NPSR1 (0.36)
SCHEMBL7414066 0.78 F10 (0.40) F3F10F2
SCHEMBL6593065 0.77 F10 (0.36) F10F2
SCHEMBL6592357 0.77 F10 (0.36) F10F2

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