SCHEMBL7487404

SCHEMBL7487404

CCOC(=O)C1CC(C(=O)OCC)(N(CC)c2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.35
SLC6A9 P48067 1/20 0.35
PTGER1 P34995 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
ADAM17 P78536 2/20 0.33
MAPT P10636 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
EGFR P00533 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7492135 0.91 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1TRPM8HCRTR1
SCHEMBL7486887 0.85 F2 (0.44) SLC6A9PTGER1EGFR
SCHEMBL7487818 0.84 MRGPRX4 (0.34) MRGPRX4SLC6A9PTGER1TRPM8ADAM17
SCHEMBL7497007 0.84 PTGER1 (0.39) MRGPRX4SLC6A9PTGER1HCRTR1HCRTR2
SCHEMBL7490133 0.84 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1ADAM17MAPT
SCHEMBL7488101 0.83 MAPT (0.36) MRGPRX4SLC6A9PTGER1TRPM8MAPT
SCHEMBL7489747 0.82 TRPM8 (0.38) MRGPRX4SLC6A9PTGER1TRPM8MAPT
SCHEMBL7485918 0.82 SLC6A9 (0.39) MRGPRX4SLC6A9PTGER1MAPTEGFR
SCHEMBL7485494 0.81 TRPM8 (0.34) MRGPRX4SLC6A9PTGER1TRPM8MAPT
SCHEMBL7495685 0.81 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1TRPM8ADAM17

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