SCHEMBL7489052

SCHEMBL7489052

CCOC(=O)C1CCCC1N(C)c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.37
PTGER1 P34995 2/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
SLC6A9 P48067 1/20 0.35
CYP19A1 P11511 1/20 0.33
HTR6 P50406 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
APP P05067 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
XDH P47989 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
SCHEMBL7486155 0.99 PTGER1 (0.36) TRPM8PTGER1MRGPRX4SLC6A9CYP19A1
SCHEMBL7489747 0.88 TRPM8 (0.38) TRPM8PTGER1MRGPRX4SLC6A9CYP19A1
SCHEMBL7488101 0.87 MAPT (0.36) TRPM8PTGER1MRGPRX4SLC6A9CYP19A1
SCHEMBL7414214 0.86 PTGER1 (0.37) TRPM8PTGER1MRGPRX4SLC6A9HTR6
SCHEMBL7486424 0.85 PTGER1 (0.37) TRPM8PTGER1MRGPRX4SLC6A9HTR6
SCHEMBL7480751 0.85 F2 (0.46) TRPM8PTGER1SLC6A9
SCHEMBL7491414 0.83 AXL (0.37) TRPM8PTGER1MRGPRX4SLC6A9HTR6
SCHEMBL7485494 0.83 TRPM8 (0.34) TRPM8PTGER1MRGPRX4SLC6A9HTR6
SCHEMBL7492445 0.83 F2 (0.46) PTGER1SLC6A9
SCHEMBL7495685 0.83 MRGPRX4 (0.35) TRPM8PTGER1MRGPRX4SLC6A9CYP19A1

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-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