SCHEMBL6590237

SCHEMBL6590237

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
F10 P00742 4/20 0.36
PLG P00747 4/20 0.36
PLAU P00749 4/20 0.36
PLAT P00750 3/20 0.35
FFAR1 O14842 2/20 0.35
F3 P13726 3/20 0.34
PTGER1 P34995 2/20 0.34
ICMT O60725 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6591343 0.94 FFAR1 (0.38) F2F10PLGPLAUPLAT
SCHEMBL6590932 0.94 F10 (0.35) F2F10PLGPLAUPLAT
SCHEMBL6596602 0.93 F2 (0.37) F2F10PLGPLAUPLAT
SCHEMBL6593353 0.89 HTR6 (0.36) F2F10PLGPLAUPLAT
SCHEMBL6592182 0.89 F2 (0.37) F2F10F3
SCHEMBL6596620 0.87 PTGER1 (0.36) F2F10PLGPLAUPLAT
SCHEMBL6594348 0.87 ICMT (0.34) F2F10PLGPLAUPLAT
SCHEMBL6591208 0.85 PLG (0.36) F2F10PLGPLAUPLAT
SCHEMBL6592379 0.85 F2 (0.34) F2F10PLGPLAUPLAT
SCHEMBL7414064 0.85 F2 (0.37) F2F10PLGPLAUF3

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