SCHEMBL7485494

SCHEMBL7485494

CCOC(=O)C1CCC(N(CC)c2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C(C(=O)OCC)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
SLC6A9 P48067 1/20 0.34
PTGER1 P34995 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
EGFR P00533 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR6 P50406 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL7493245 0.85 F2 (0.43) SLC6A9PTGER1MAPTEGFR
SCHEMBL7493252 0.85
SCHEMBL7488101 0.85 MAPT (0.36) TRPM8MRGPRX4SLC6A9PTGER1NPC1
SCHEMBL7485733 0.84 MRGPRX4 (0.36) TRPM8MRGPRX4SLC6A9PTGER1EGFR
SCHEMBL7489747 0.84 TRPM8 (0.38) TRPM8MRGPRX4SLC6A9PTGER1MAPT
SCHEMBL7495479 0.84 MAPK8 (0.36) MRGPRX4SLC6A9PTGER1NPC1PKM
SCHEMBL7489052 0.83 TRPM8 (0.37) TRPM8MRGPRX4SLC6A9PTGER1L3MBTL1
SCHEMBL7486155 0.83 PTGER1 (0.36) TRPM8MRGPRX4SLC6A9PTGER1L3MBTL1
SCHEMBL7487404 0.81 MRGPRX4 (0.35) TRPM8MRGPRX4SLC6A9PTGER1MAPT
SCHEMBL7415762 0.81 MAPT (0.38) MRGPRX4SLC6A9PTGER1NPC1PKM

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