SCHEMBL6591925

SCHEMBL6591925

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.35
ALOX5 P09917 1/20 0.33
SLC6A9 P48067 1/20 0.33
APP P05067 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ADRB2 P07550 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CASR P41180 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
PTGER1 P34995 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
XDH P47989 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LTA4H P09960 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
SCHEMBL6589919 0.94 MRGPRX4 (0.36) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6589009 0.94 MRGPRX4 (0.37) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6589725 0.92 MRGPRX4 (0.34) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6592295 0.92 MRGPRX4 (0.35) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6591887 0.91 MRGPRX4 (0.38) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6594261 0.90 MRGPRX4 (0.38) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6591101 0.87 MRGPRX4 (0.39) MRGPRX4SLC6A9PTGER1HCRTR1HCRTR2
SCHEMBL6590066 0.86 MRGPRX4 (0.38) MRGPRX4SLC6A9APPPTGER1HCRTR1
SCHEMBL6590506 0.85 MRGPRX4 (0.39) MRGPRX4SLC6A9APPPPARGPPARD
SCHEMBL6592621 0.84 F10 (0.46) SLC6A9KCNH2PTGER1HDAC6KDM4E

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