SCHEMBL8780907

SCHEMBL8780907

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 9/20 0.44
SLC22A2 O15244 1/20 0.42
ADRB1 P08588 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8780751 0.94 PKM (0.51) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8781035 0.87 KCNH2 (0.50) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780927 0.87 KCNH2 (0.58) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780750 0.85 TDP1 (0.37) PKMSMN1; SMN2KCNH2HPGDKMT2A
SCHEMBL8780862 0.85 KCNH2 (0.59) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780890 0.84 PKM (0.52) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780851 0.84 KCNH2 (0.55) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780727 0.83 L3MBTL1 (0.44) PKMLMNAHRH3KDM4EALDH1A1
SCHEMBL8780872 0.82 KCNH2 (0.63) PKMSMN1; SMN2KCNH2SLC22A2ADRB1
SCHEMBL8780849 0.81 KCNH2 (0.47) SMN1; SMN2KCNH2LMNAHPGDDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9095484-A None JP disclosed
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
JP-H0995484-A NEW PYRIMIDINEDIONE DERIVATIVE AND ANTIARRHYTHMIC AGENT CONTAINING THE SAME MITSUI TOATSU CHEM INC 1997-04-08 JP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed