SCHEMBL7490076

SCHEMBL7490076

CCOC(=O)C1C2CCC1N(c1c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c1F)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
S1PR5 Q9H228 1/20 0.34
PTGER1 P34995 2/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DCK P27707 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HSD11B1 P28845 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MGLL Q99685 1/20 0.32
MAPT P10636 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
SCHEMBL7489934 0.86 MRGPRX4 (0.35) SLC6A9MRGPRX4S1PR5PTGER1HCRTR1
SCHEMBL7415795 0.85 POLB (0.42) SLC6A9MRGPRX4PTGER1L3MBTL1PTGDR2
SCHEMBL7487963 0.85 F2 (0.42) SLC6A9PTGER1
SCHEMBL7485918 0.85 SLC6A9 (0.39) SLC6A9MRGPRX4S1PR5PTGER1L3MBTL1
SCHEMBL7486401 0.83 SLC6A9 (0.36) SLC6A9MRGPRX4PTGER1HCRTR1HCRTR2
SCHEMBL7412877 0.83 MRGPRX4 (0.36) SLC6A9MRGPRX4PTGER1PTGDR2MAPT
SCHEMBL7493775 0.82 MRGPRX4 (0.37) SLC6A9MRGPRX4PTGER1PTGDR2GPR119
SCHEMBL7491345 0.81 MRGPRX4 (0.37) SLC6A9MRGPRX4PTGER1MAPT
SCHEMBL7485733 0.79 MRGPRX4 (0.36) SLC6A9MRGPRX4PTGER1HCRTR1HCRTR2
SCHEMBL7415762 0.78 MAPT (0.38) SLC6A9MRGPRX4PTGER1L3MBTL1DCK

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 7 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
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed