SCHEMBL6591887

SCHEMBL6591887

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.38
SLC6A9 P48067 1/20 0.36
PTGER1 P34995 2/20 0.35
XDH P47989 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
APP P05067 2/20 0.34
CYP19A1 P11511 1/20 0.34
PPIA P62937 1/20 0.33
MAPK1 P28482 2/20 0.33
NTSR1 P30989 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 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
SCHEMBL6594261 0.95 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6589009 0.94 MRGPRX4 (0.37) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6589919 0.93 MRGPRX4 (0.36) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6591101 0.91 MRGPRX4 (0.39) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6590066 0.91 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6592295 0.91 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6591925 0.91 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6589725 0.90 MRGPRX4 (0.34) MRGPRX4SLC6A9PTGER1XDHHCRTR1
SCHEMBL6592379 0.84 F2 (0.34) MRGPRX4PTGER1HTTKDM4EFFAR1
SCHEMBL6588917 0.83 MRGPRX4 (0.40) MRGPRX4SLC6A9PTGER1XDHCYP19A1

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