SCHEMBL8780837

SCHEMBL8780837

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
MAOB P27338 5/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 4/20 0.41
MCHR1 Q99705 2/20 0.41
PKM P14618 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL8780802 0.93 L3MBTL1 (0.44) L3MBTL1GAAMAOBHRH3PKM
Hydrochloric Acid SCHEMBL8781133 0.92 L3MBTL1 (0.43) L3MBTL1GAAMAOBHRH3PKM
SCHEMBL8780798 0.89 BCHE (0.50) L3MBTL1EBPSIGMAR1HRH3MCHR1
SCHEMBL8781045 0.87 MAOB (0.49) L3MBTL1GAAMAOBHRH3PKM
SCHEMBL8780993 0.86 THRA (0.40) MAOBSIGMAR1HRH3MCHR1LMNA
SCHEMBL8780789 0.86 ADORA2A (0.41) HRH3MCHR1PKMADORA3ADORA2A
SCHEMBL8780829 0.86 RIPK2 (0.43) MAOBEBPSIGMAR1HRH3MCHR1
SCHEMBL8780892 0.86 RXFP1 (0.42) HRH3MCHR1ADORA3ADORA2AADORA2B
SCHEMBL8780727 0.84 L3MBTL1 (0.44) L3MBTL1GAAMAOBHRH3PKM
SCHEMBL8780756 0.84 ADORA3 (0.40) MCHR1ADORA3ADORA2AADORA2BADORA1

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