SCHEMBL6596133

SCHEMBL6596133

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.37
PTGER1 P34995 3/20 0.36
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A9 P48067 1/20 0.32
XDH P47989 1/20 0.32
FFAR1 O14842 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TDP2 O95551 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PPIA P62937 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
HTR6 P50406 1/20 0.31
KCNH2 Q12809 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
SCHEMBL6596992 0.87 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6591631 0.87 FFAR1 (0.40) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6587782 0.87 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6590192 0.87 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6593517 0.87 MAPT (0.41) LMNAHTR6KCNH2
SCHEMBL6589872 0.86 MRGPRX4 (0.38) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6595958 0.85 MRGPRX4 (0.38) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6591354 0.85 MRGPRX4 (0.34) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL7415430 0.84 F2 (0.41) MRGPRX4PTGER1SLC6A9TDP2HTR6
SCHEMBL6596215 0.84 MRGPRX4 (0.37) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9

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