SCHEMBL7415762

SCHEMBL7415762

CCOC(=O)C1CCC(Oc2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
EGFR P00533 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PTGER1 P34995 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 1/20 0.35
ACSL1 P33121 1/20 0.35
DCK P27707 1/20 0.35
ACACB O00763 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
SCHEMBL7492184 0.94 MRGPRX4 (0.38) MAPTMRGPRX4EGFRNPC1PKM
SCHEMBL7420284 0.92 MRGPRX4 (0.38) MRGPRX4PTGER1SLC6A9
SCHEMBL7486424 0.88 PTGER1 (0.37) MRGPRX4PTGER1L3MBTL1SLC6A9
SCHEMBL7414214 0.88 PTGER1 (0.37) MRGPRX4PTGER1L3MBTL1SLC6A9
SCHEMBL7488481 0.86 MAPK8 (0.43) MAPTMRGPRX4EGFRMAPK8MAPK9
SCHEMBL7488101 0.86 MAPT (0.36) MAPTMRGPRX4EGFRMAPK8MAPK9
SCHEMBL7416532 0.84 MRGPRX4 (0.35) MRGPRX4NPC1PKMRAB9APTGER1
SCHEMBL7485918 0.84 SLC6A9 (0.39) MAPTMRGPRX4EGFRPTGER1L3MBTL1
SCHEMBL7415526 0.83 F2 (0.52) MAPTEGFRPTGER1ACSL1
SCHEMBL7495479 0.82 MAPK8 (0.36) MAPTMRGPRX4EGFRMAPK8MAPK9

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