SCHEMBL7486401

SCHEMBL7486401

CCOC(=O)C1CC(OCc2ccccc2)CN1c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.36
CYP11B2 P19099 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PTGER1 P34995 2/20 0.34
CTSS P25774 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TRPM8 Q7Z2W7 1/20 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
SCHEMBL7415795 0.86 POLB (0.42) SLC6A9MRGPRX4PTGER1PDCD1CD274
SCHEMBL7412877 0.86 MRGPRX4 (0.36) SLC6A9MRGPRX4PTGER1PTGDR2POLB
SCHEMBL7491254 0.85 F2 (0.44) SLC6A9PTGER1PDCD1CD274POLB
SCHEMBL7485918 0.85 SLC6A9 (0.39) SLC6A9MRGPRX4PTGER1L3MBTL1
SCHEMBL7489934 0.84 MRGPRX4 (0.35) SLC6A9MRGPRX4HCRTR1HCRTR2PTGER1
SCHEMBL7490076 0.83 SLC6A9 (0.36) SLC6A9MRGPRX4HCRTR1HCRTR2PTGER1
SCHEMBL7495703 0.82 BACE1 (0.37) CTSSPOLBL3MBTL1
SCHEMBL7493775 0.82 MRGPRX4 (0.37) SLC6A9MRGPRX4PTGER1PTGDR2XDH
SCHEMBL7420284 0.80 MRGPRX4 (0.38) SLC6A9MRGPRX4PTGER1TRPM8XDH
SCHEMBL7492184 0.80 MRGPRX4 (0.38) SLC6A9MRGPRX4PTGER1L3MBTL1XDH

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