SCHEMBL6597141

SCHEMBL6597141

CCOC(=O)C(C(C)C)N(C)c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.38
SLC6A9 P48067 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 2/20 0.35
XDH P47989 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
FFAR1 O14842 1/20 0.34
MAOB P27338 2/20 0.34
PPIA P62937 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
APP P05067 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
SCHEMBL6587806 0.95 MRGPRX4 (0.38) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6590784 0.94 MRGPRX4 (0.37) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6590500 0.92 MRGPRX4 (0.39) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6591067 0.89 MRGPRX4 (0.38) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6592428 0.88 MRGPRX4 (0.38) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6593172 0.88 FFAR1 (0.39) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6592700 0.88 MRGPRX4 (0.37) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6590354 0.87 MRGPRX4 (0.37) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6595634 0.86 MRGPRX4 (0.36) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1
SCHEMBL6593252 0.86 MRGPRX4 (0.36) MRGPRX4SLC6A9CYP19A1LMNAL3MBTL1

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