SCHEMBL6596215

SCHEMBL6596215

CCOC(=O)C(CCSC)Oc1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.37
PTGER1 P34995 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A9 P48067 1/20 0.33
XDH P47989 1/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
FFAR1 O14842 1/20 0.33
KDR P35968 1/20 0.33
PGGT1B P53609 1/20 0.32
FPR1 P21462 1/20 0.32
PPIA P62937 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
SCHEMBL6589872 0.92 MRGPRX4 (0.38) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6596992 0.90 MRGPRX4 (0.39) MRGPRX4PTGER1PDCD1CD274LMNA
SCHEMBL6592269 0.90 MRGPRX4 (0.37) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6591631 0.89 FFAR1 (0.40) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6590192 0.89 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6587782 0.89 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6595958 0.88 MRGPRX4 (0.38) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6595090 0.85 MRGPRX4 (0.39) MRGPRX4PTGER1LMNAL3MBTL1SLC6A9
SCHEMBL6591644 0.85 MRGPRX4 (0.34) MRGPRX4PTGER1PPIA
SCHEMBL6591621 0.85 MRGPRX4 (0.39) MRGPRX4PTGER1PDCD1CD274LMNA

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