SCHEMBL6590932

SCHEMBL6590932

CCOC(=O)C(CCc1ccccc1)N(C)c1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.35
F2 P00734 3/20 0.35
PLG P00747 3/20 0.35
PLAU P00749 3/20 0.35
F7 P08709 10/20 0.34
F3 P13726 10/20 0.34
F11 P03951 1/20 0.34
PLAT P00750 2/20 0.34
FFAR1 O14842 1/20 0.34
PTGER1 P34995 1/20 0.33

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
SCHEMBL6590237 0.94 F2 (0.36) F10F2PLGPLAUF3
SCHEMBL6591343 0.93 FFAR1 (0.38) F10F2PLGPLAUPLAT
SCHEMBL6596602 0.92 F2 (0.37) F10F2PLGPLAUF3
SCHEMBL6592182 0.90 F2 (0.37) F10F2F7F3F11
SCHEMBL6593353 0.88 HTR6 (0.36) F10F2PLGPLAUPLAT
SCHEMBL6596352 0.88 F10 (0.35) F10F2PLGPLAUF7
SCHEMBL6594348 0.86 ICMT (0.34) F10F2PLGPLAUF3
SCHEMBL7414064 0.85 F2 (0.37) F10F2PLGPLAUF7
SCHEMBL6592700 0.84 MRGPRX4 (0.37) FFAR1PTGER1
SCHEMBL6592379 0.84 F2 (0.34) F10F2PLGPLAUF3

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