SCHEMBL6592883

SCHEMBL6592883

CCOC(=O)C(Oc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F)C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
F10 P00742 7/20 0.43
PTGER1 P34995 2/20 0.34
ICMT O60725 2/20 0.33
PLAU P00749 6/20 0.33
PLG P00747 5/20 0.33
PLAT P00750 4/20 0.33
SLC6A9 P48067 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6593401 0.95 F2 (0.44) F2F10PTGER1ICMTPLAU
SCHEMBL6593254 0.95 F10 (0.44) F2F10PTGER1ICMTPLAU
SCHEMBL6591144 0.90 F10 (0.44) F2F10PTGER1ICMTPLAU
SCHEMBL6593437 0.89 F2 (0.47) F2F10PTGER1ICMTPLAU
SCHEMBL6593272 0.88 F2 (0.42) F2F10PTGER1ICMTPLAU
SCHEMBL6594137 0.88 F10 (0.45) F2F10PTGER1PLAUPLG
SCHEMBL7414461 0.87 F2 (0.49) F2F10PTGER1ICMTPLAU
SCHEMBL7415430 0.86 F2 (0.41) F2F10PTGER1ICMTPLAU
SCHEMBL6597090 0.86 F2 (0.48) F2F10PTGER1PLAUPLG
SCHEMBL6591417 0.86 F2 (0.48) F2F10PTGER1ICMTPLAU

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 8 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
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed