SCHEMBL8780727

SCHEMBL8780727

CC(=O)c1ccc(OCCN(CCCc2cc(=O)n(C)c(=O)n2C)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
MAOB P27338 2/20 0.39
HRH3 Q9Y5N1 7/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8780750 0.86 TDP1 (0.37) KDM4EPKMALDH1A1MAPTPOLB
SCHEMBL8781045 0.86 MAOB (0.49) L3MBTL1GAAMAOBHRH3KDM4E
SCHEMBL8780837 0.84 L3MBTL1 (0.45) L3MBTL1GAAMAOBHRH3PKM
SCHEMBL8780802 0.84 L3MBTL1 (0.44) L3MBTL1GAAMAOBHRH3KDM4E
Hydrochloric Acid SCHEMBL8781133 0.83 L3MBTL1 (0.43) L3MBTL1GAAMAOBHRH3KDM4E
SCHEMBL8780907 0.83 PKM (0.52) HRH3KDM4EPKMALDH1A1LMNA
SCHEMBL8780849 0.82 KCNH2 (0.47) ALDH1A1LMNA
SCHEMBL8780824 0.80 TDP1 (0.39) KDM4EPKMALDH1A1MAPTPOLB
SCHEMBL8780791 0.79 CYP2D6 (0.51)
SCHEMBL8781032 0.78 KDM4E (0.38) KDM4EPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed