SCHEMBL7415795

SCHEMBL7415795

CCOC(=O)C1CCCN1c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 1/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER1 P34995 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
APP P05067 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7412877 0.88 MRGPRX4 (0.36) POLBSLC6A9PTGER1MRGPRX4EGFR
SCHEMBL7486401 0.86 SLC6A9 (0.36) POLBL3MBTL1SLC6A9PDCD1CD274
SCHEMBL7490076 0.85 SLC6A9 (0.36) L3MBTL1SLC6A9PTGER1MRGPRX4PTGDR2
SCHEMBL7485918 0.85 SLC6A9 (0.39) L3MBTL1SLC6A9MEN1KMT2APTGER1
SCHEMBL7490303 0.85 F2 (0.44) POLBPDCD1CD274MEN1KMT2A
SCHEMBL7493775 0.83 MRGPRX4 (0.37) SLC6A9PTGER1MRGPRX4PTGDR2
SCHEMBL7489934 0.83 MRGPRX4 (0.35) L3MBTL1SLC6A9PTGER1MRGPRX4PTGDR2
SCHEMBL7486424 0.80 PTGER1 (0.37) POLBL3MBTL1SLC6A9PTGER1MRGPRX4
SCHEMBL7414214 0.80 PTGER1 (0.37) POLBL3MBTL1SLC6A9PTGER1MRGPRX4
SCHEMBL7493737 0.80 SLC6A9 (0.38) POLBSLC6A9MEN1KMT2APTGER1

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