SCHEMBL7489747

SCHEMBL7489747

CCOC(=O)C1CCCC(N(C)c2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
SLC6A9 P48067 1/20 0.35
MAPT P10636 1/20 0.34
EGFR P00533 2/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7488101 0.92 MAPT (0.36) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7489052 0.88 TRPM8 (0.37) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7486155 0.86 PTGER1 (0.36) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7490415 0.85 L3MBTL1 (0.37) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7495685 0.85 MRGPRX4 (0.35) TRPM8PTGER1MRGPRX4SLC6A9CYP19A1
SCHEMBL7487939 0.85 F2 (0.47) TRPM8L3MBTL1PTGER1EGFR
SCHEMBL7485494 0.84 TRPM8 (0.34) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7487404 0.82 MRGPRX4 (0.35) TRPM8L3MBTL1PTGER1MRGPRX4SLC6A9
SCHEMBL7485918 0.82 SLC6A9 (0.39) L3MBTL1PTGER1MRGPRX4SLC6A9MAPT
SCHEMBL7492184 0.81 MRGPRX4 (0.38) L3MBTL1PTGER1MRGPRX4SLC6A9MAPT

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