SCHEMBL7420284

SCHEMBL7420284

CCOC(=O)C1CC(Oc2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.38
PTGER1 P34995 2/20 0.37
SLC6A9 P48067 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
XDH P47989 1/20 0.34
PPIA P62937 1/20 0.33
HTR6 P50406 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SLC6A4 P31645 2/20 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
SCHEMBL7492184 0.95 MRGPRX4 (0.38) MRGPRX4PTGER1SLC6A9F2F10
SCHEMBL7415762 0.92 MAPT (0.38) MRGPRX4PTGER1SLC6A9
SCHEMBL7486424 0.90 PTGER1 (0.37) MRGPRX4PTGER1SLC6A9XDHHTR6
SCHEMBL7414214 0.90 PTGER1 (0.37) MRGPRX4PTGER1SLC6A9XDHHTR6
SCHEMBL7416532 0.83 MRGPRX4 (0.35) MRGPRX4PTGER1SLC6A9XDHHTR6
SCHEMBL7418994 0.83 F2 (0.53) MRGPRX4PTGER1SLC6A9F2F10
SCHEMBL7421091 0.82 PTGER1 (0.38) MRGPRX4PTGER1SLC6A9PPIATRPM8
SCHEMBL7489052 0.82 TRPM8 (0.37) MRGPRX4PTGER1SLC6A9XDHHTR6
SCHEMBL7486155 0.82 PTGER1 (0.36) MRGPRX4PTGER1SLC6A9XDHHTR6
SCHEMBL6588917 0.82 MRGPRX4 (0.40) MRGPRX4PTGER1SLC6A9XDHPPIA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed