SCHEMBL9428996

SCHEMBL9428996

Cn1c(N2CCN(CCCOc3ccc(C#N)cc3C(=O)c3ncccn3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
HRH1 P35367 8/20 0.40
MAOB P27338 3/20 0.40
HRH2 P25021 3/20 0.40
DRD2 P14416 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL9429396 0.89 HRH3 (0.46) HRH3HRH1HRH2HTR1AHTR2A
SCHEMBL9428874 0.89 HRH1 (0.45) HRH3HRH1DRD2HTR1AHTR2A
SCHEMBL9429002 0.88 HRH3 (0.45) HRH3HRH1HRH2
SCHEMBL9428911 0.86 HRH1 (0.41) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL9428763 0.84 KCNA5 (0.48) HRH1DRD2HTR1AADRA1DADRA1A
SCHEMBL9386087 0.84 HTR1A (0.43) HRH3HRH1MAOBHRH2HTR1A
SCHEMBL9428459 0.83 KCNA5 (0.41) HRH3HRH1MAOBHRH2HTR1A
SCHEMBL9428870 0.79 HRH3 (0.57) HRH3HRH1HRH2
SCHEMBL9428883 0.78 HRH1 (0.50) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL9429393 0.78 HRH3 (0.43) HRH3HRH1HRH2DRD2HTR1A

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