SCHEMBL9428459

SCHEMBL9428459

CC(=O)c1cc(C#N)ccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 3/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 5/20 0.38
PDGFRB P09619 2/20 0.38
SLC6A9 P48067 1/20 0.38
HRH2 P25021 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
DRD3 P35462 1/20 0.36

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
SCHEMBL9428763 0.88 KCNA5 (0.48) KCNA5HTR1AHRH1DRD3
SCHEMBL9428911 0.86 HRH1 (0.41) HTR1AHTR2AHRH1PDGFRBHRH2
SCHEMBL9429465 0.84 MAPT (0.52) MEN1ALDH1A1KMT2AHTR1AHRH1
SCHEMBL9428874 0.84 HRH1 (0.45) KCNA5ALDH1A1HTR1AHTR2AHRH1
SCHEMBL9428996 0.83 HRH3 (0.41) HTR1AHTR2AHRH1HRH2HRH3
SCHEMBL9429396 0.82 HRH3 (0.46) HTR1AHTR2AHRH1HRH2HRH3
SCHEMBL9384119 0.82 HTR1A (0.45) MEN1ALDH1A1KMT2AHTR1AHTR2A
SCHEMBL9429002 0.80 HRH3 (0.45) HRH1HRH2HRH3
Oxalic Acid SCHEMBL9388359 0.80 ALDH1A1 (0.47) MEN1ALDH1A1KMT2AHTR1AHTR2A
SCHEMBL9429637 0.80 HTR1A (0.48) ALDH1A1HTR1AHTR2AHRH1MAOA

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed