SCHEMBL6596445

SCHEMBL6596445

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.34
PLG P00747 5/20 0.34
PLAT P00750 3/20 0.34
F2 P00734 7/20 0.34
F10 P00742 2/20 0.34
F3 P13726 6/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER1 P34995 1/20 0.33
ICMT O60725 2/20 0.33
FFAR1 O14842 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL6592027 0.98 PLAU (0.34) PLAUPLGPLATF2F10
SCHEMBL6592379 0.95 F2 (0.34) PLAUPLGPLATF2F10
SCHEMBL6597131 0.95 PLAU (0.35) PLAUPLGPLATF2F10
SCHEMBL6591310 0.94 F2 (0.34) PLAUPLGPLATF2F10
SCHEMBL6591208 0.91 PLG (0.36) PLAUPLGPLATF2F10
SCHEMBL6592357 0.87 F10 (0.36) PLAUPLGPLATF2F10
SCHEMBL6594348 0.85 ICMT (0.34) PLAUPLGPLATF2F10
SCHEMBL6589009 0.84 MRGPRX4 (0.37) PTGER1FFAR1MRGPRX4
SCHEMBL6590237 0.84 F2 (0.36) PLAUPLGPLATF2F10
SCHEMBL6591343 0.83 FFAR1 (0.38) PLAUPLGPLATF2F10

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