SCHEMBL8780802

SCHEMBL8780802

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
BCHE P06276 5/20 0.43
ACHE P22303 5/20 0.43
MAOB P27338 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL8781133 0.99 L3MBTL1 (0.43) L3MBTL1GAABCHEACHEMAOB
SCHEMBL8780837 0.93 L3MBTL1 (0.45) L3MBTL1GAABCHEACHEMAOB
SCHEMBL8780776 0.86 MAOA (0.37) GAABCHEACHEMAOBMAPT
SCHEMBL8781045 0.86 MAOB (0.49) L3MBTL1GAAMAOBALDH1A1MAPT
SCHEMBL8780727 0.84 L3MBTL1 (0.44) L3MBTL1GAAMAOBALDH1A1MAPT
SCHEMBL8780890 0.83 PKM (0.52) ALDH1A1PKMHRH3
SCHEMBL8780798 0.82 BCHE (0.50) L3MBTL1BCHEACHEMAPTHRH3
SCHEMBL8780917 0.81 NPC1 (0.49) ACHEALDH1A1HRH3
SCHEMBL8780993 0.80 THRA (0.40) MAOBTHRATHRBALDH1A1HRH3
SCHEMBL8780815 0.80 ADORA2A (0.38) BCHEACHEMAOBALDH1A1MAPT

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