SCHEMBL7489934

SCHEMBL7489934

CCOC(=O)C1CC2CC1N(c1c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c1F)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.35
SLC6A9 P48067 1/20 0.35
PTGER1 P34995 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
XDH P47989 1/20 0.32
AGTR2 P50052 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL7490076 0.86 SLC6A9 (0.36) MRGPRX4SLC6A9PTGER1PTGDR2HCRTR1
SCHEMBL7491015 0.85 F2 (0.43) SLC6A9PTGER1
SCHEMBL7485918 0.85 SLC6A9 (0.39) MRGPRX4SLC6A9PTGER1L3MBTL1S1PR5
SCHEMBL7486401 0.84 SLC6A9 (0.36) MRGPRX4SLC6A9PTGER1PTGDR2HCRTR1
SCHEMBL7415795 0.83 POLB (0.42) MRGPRX4SLC6A9PTGER1PTGDR2L3MBTL1
SCHEMBL7412877 0.83 MRGPRX4 (0.36) MRGPRX4SLC6A9PTGER1PTGDR2XDH
SCHEMBL7493775 0.82 MRGPRX4 (0.37) MRGPRX4SLC6A9PTGER1PTGDR2XDH
SCHEMBL7420284 0.82 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1XDH
SCHEMBL7414214 0.78 PTGER1 (0.37) MRGPRX4SLC6A9PTGER1L3MBTL1XDH
SCHEMBL7486424 0.78 PTGER1 (0.37) MRGPRX4SLC6A9PTGER1L3MBTL1XDH

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