SCHEMBL7415430

SCHEMBL7415430

CCOC(=O)C(Cc1c[nH]cn1)Oc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.41
F10 P00742 7/20 0.41
PTGER1 P34995 3/20 0.35
PLAU P00749 4/20 0.33
PLG P00747 3/20 0.33
PLAT P00750 3/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
TDP2 O95551 1/20 0.31
SLC6A9 P48067 1/20 0.30
HTR6 P50406 1/20 0.30
KCNH2 Q12809 1/20 0.30
ICMT O60725 1/20 0.30

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
SCHEMBL6591144 0.90 F10 (0.44) F2F10PTGER1PLAUPLG
SCHEMBL6594546 0.89 F2 (0.45) F2F10PTGER1PLAUPLG
SCHEMBL6594137 0.88 F10 (0.45) F2F10PTGER1PLAUPLG
SCHEMBL6593272 0.88 F2 (0.42) F2F10PTGER1PLAUPLG
SCHEMBL6593401 0.87 F2 (0.44) F2F10PTGER1PLAUPLG
SCHEMBL6593254 0.87 F10 (0.44) F2F10PTGER1PLAUPLG
SCHEMBL6592883 0.86 F2 (0.43) F2F10PTGER1PLAUPLG
SCHEMBL6593709 0.85 F10 (0.45) F2F10
SCHEMBL6596133 0.84 MRGPRX4 (0.37) PTGER1MRGPRX4TDP2SLC6A9HTR6
SCHEMBL6593359 0.83 F10 (0.46) F2F10PTGER1PLAUPLG

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
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