SCHEMBL8780927

SCHEMBL8780927

CN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.58
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC22A2 O15244 1/20 0.43
ADRB1 P08588 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
LSS P48449 2/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL8780872 0.94 KCNH2 (0.63) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780862 0.88 KCNH2 (0.59) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780890 0.87 PKM (0.52) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780907 0.87 PKM (0.52) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780851 0.86 KCNH2 (0.55) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8781016 0.86 KCNH2 (0.56) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780781 0.84 LTA4H (0.46) KCNH2SMN1; SMN2LSSHPGDKMT2A
SCHEMBL8780990 0.84 KCNH2 (0.39) KCNH2PKMSMN1; SMN2DRD2DRD3
SCHEMBL8780805 0.83 KCNH2 (0.65) KCNH2PKMSMN1; SMN2SLC22A2ADRB1
SCHEMBL8780960 0.83 DRD2 (0.59) KCNH2PKMSMN1; SMN2SLC22A2ADRB1

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