SCHEMBL6594546

SCHEMBL6594546

CCOC(=O)C(Cc1c[nH]cn1)N(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.45
F10 P00742 8/20 0.45
PLG P00747 5/20 0.34
PLAU P00749 5/20 0.34
PLAT P00750 4/20 0.34
PTGER1 P34995 2/20 0.32
SLC6A9 P48067 1/20 0.31
TDP2 O95551 1/20 0.30
HTR6 P50406 1/20 0.30
KCNH2 Q12809 1/20 0.30
F3 P13726 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL6594063 0.90 F2 (0.48) F2F10PLGPLAUPLAT
SCHEMBL7415430 0.89 F2 (0.41) F2F10PLGPLAUPLAT
SCHEMBL7414461 0.88 F2 (0.49) F2F10PLGPLAUPLAT
SCHEMBL6594847 0.88 F10 (0.49) F2F10PLGPLAUPLAT
SCHEMBL6590727 0.88 F10 (0.46) F2F10PLGPLAUPLAT
SCHEMBL6591417 0.87 F2 (0.48) F2F10PLGPLAUPLAT
SCHEMBL6597090 0.87 F2 (0.48) F2F10PLGPLAUPLAT
SCHEMBL6593437 0.86 F2 (0.47) F2F10PLGPLAUPLAT
SCHEMBL6591354 0.85 MRGPRX4 (0.34) PTGER1SLC6A9TDP2HTR6KCNH2
SCHEMBL6591583 0.85 F2 (0.48) F2F10PLGPLAUPLAT

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