SCHEMBL6591606

SCHEMBL6591606

Cn1ccnc1-c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(NC(CCCCNC(=N)N)C(=O)O)c2F)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.58
F2 P00734 12/20 0.58
F7 P08709 6/20 0.43
F3 P13726 6/20 0.43
F11 P03951 1/20 0.41

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
SCHEMBL6591298 0.95 F10 (0.57) F10F2F7F3F11
SCHEMBL6593600 0.93 F10 (0.60) F10F2F7F3F11
SCHEMBL6594233 0.89 F10 (0.57) F10F2F7F3
SCHEMBL6593615 0.85 F10 (0.54) F10F2F7F3
SCHEMBL6592849 0.85 F10 (0.67) F10F2F7F3F11
SCHEMBL7551745 0.83 F10 (0.61) F10F2F7F3
SCHEMBL6588980 0.82 F7 (0.40) F10F2F7F3F11
SCHEMBL6578682 0.81 F10 (0.69) F10F2
SCHEMBL6581916 0.81 F10 (0.68) F10F2
SCHEMBL6592907 0.81 F10 (0.63) 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 7 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 claimed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US claimed
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