SCHEMBL9429396

SCHEMBL9429396

Cn1c(N2CCN(CCCOc3ccc(C#N)cc3C(=O)c3ccncc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.46
HRH1 P35367 8/20 0.46
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HRH2 P25021 4/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL9428874 0.92 HRH1 (0.45) HRH3HRH1HTR1AHTR2A
SCHEMBL9429002 0.90 HRH3 (0.45) HRH3HRH1HRH2
SCHEMBL9428996 0.89 HRH3 (0.41) HRH3HRH1HTR1AHTR2AHRH2
SCHEMBL9428763 0.87 KCNA5 (0.48) HRH1HTR1A
SCHEMBL9428911 0.85 HRH1 (0.41) HRH3HRH1HTR1AHTR2AHRH2
SCHEMBL9387106 0.84 HTR1A (0.42) HRH3HRH1HTR1AHTR2AHRH2
SCHEMBL9428459 0.82 KCNA5 (0.41) HRH3HRH1HTR1AHTR2AHRH2
SCHEMBL9428870 0.79 HRH3 (0.57) HRH3HRH1HRH2
SCHEMBL9429137 0.76 HRH1 (0.39) HRH3HRH1HTR1AHRH2
SCHEMBL9429616 0.76 HRH3 (0.58) HRH3HRH1HRH2

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 1 patent. 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