SCHEMBL8780798

SCHEMBL8780798

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.50
ACHE P22303 9/20 0.50
KCNH2 Q12809 3/20 0.45
KMT2A Q03164 3/20 0.45
EBP Q15125 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ESR1 P03372 2/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CHRM1 P11229 2/20 0.45
PTGS1 P23219 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
DRD3 P35462 2/20 0.45
HTR6 P50406 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MEN1 O00255 2/20 0.45
IDH1 O75874 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL8780837 0.89 L3MBTL1 (0.45) BCHEACHEEBPSIGMAR1ADORA3
SCHEMBL8780892 0.83 RXFP1 (0.42) KCNH2KMT2AESR1ADORA3MAPT
SCHEMBL8780789 0.83 ADORA2A (0.41) KCNH2KMT2AADORA3KDM4EMAPT
SCHEMBL8780829 0.83 RIPK2 (0.43) KCNH2KMT2AEBPSIGMAR1ADORA3
SCHEMBL8780802 0.82 L3MBTL1 (0.44) BCHEACHEKDM4EMAPTHRH3
SCHEMBL8780909 0.82 KCNH2 (0.42) KCNH2KMT2AADORA3MAPTHRH3
SCHEMBL8780756 0.82 ADORA3 (0.40) KCNH2KMT2AADORA3MAPTMCHR1
Hydrochloric Acid SCHEMBL8781133 0.81 L3MBTL1 (0.43) BCHEACHEKDM4EMAPTHRH3
SCHEMBL8780998 0.81 SLC6A4 (0.42) KCNH2KMT2AADORA3SLC6A4SLC6A3
SCHEMBL9429126 0.81 BCHE (0.51) BCHEACHEKCNH2SLC6A4HRH3

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