SCHEMBL7495685

SCHEMBL7495685

CCOC(=O)C1(C(=O)OCC)CCC(N(C)c2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.35
SLC6A9 P48067 1/20 0.35
CYP19A1 P11511 1/20 0.35
PTGER1 P34995 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
ADAM17 P78536 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
XDH P47989 1/20 0.32
FFAR1 O14842 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
SCHEMBL7488101 0.88 MAPT (0.36) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7489747 0.85 TRPM8 (0.38) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7491404 0.85 MRGPRX4 (0.36) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7497007 0.85 PTGER1 (0.39) MRGPRX4SLC6A9CYP19A1PTGER1HCRTR1
SCHEMBL7490911 0.85 F10 (0.46) SLC6A9PTGER1
SCHEMBL7492135 0.84 MRGPRX4 (0.38) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7486155 0.83 PTGER1 (0.36) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7489052 0.83 TRPM8 (0.37) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8
SCHEMBL7487404 0.81 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1TRPM8ADAM17
SCHEMBL7487818 0.81 MRGPRX4 (0.34) MRGPRX4SLC6A9CYP19A1PTGER1TRPM8

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