SCHEMBL7488481

SCHEMBL7488481

CCOC(=O)C1CCC(Nc2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
EGFR P00533 2/20 0.36
SLC6A9 P48067 1/20 0.36
PTGER1 P34995 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CCR8 P51685 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7490415 0.92 L3MBTL1 (0.37) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7495479 0.89 MAPK8 (0.36) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7491404 0.88 MRGPRX4 (0.36) MAPK8MAPK9NPC1PKMRAB9A
SCHEMBL7491250 0.87 PTGER1 (0.36) MAPTNPC1PKMRAB9AMRGPRX4
SCHEMBL7491414 0.87 AXL (0.37) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7415762 0.86 MAPT (0.38) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7491345 0.86 MRGPRX4 (0.37) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7490133 0.85 MRGPRX4 (0.35) MAPTNPC1PKMRAB9AMRGPRX4
SCHEMBL7488101 0.84 MAPT (0.36) MAPK8MAPK9MAPTNPC1PKM
SCHEMBL7494292 0.83 F2 (0.43) MAPK8MAPK9MAPTEGFRPTGER1

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