SCHEMBL9428883

SCHEMBL9428883

Cn1c(N2CCN(CCCOc3cccc(C#N)c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.50
CCR3 P51677 1/20 0.50
HRH2 P25021 2/20 0.49
HTR2C P28335 1/20 0.49
DRD2 P14416 4/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9428870 0.89 HRH3 (0.57) HRH1HRH2HRH3MEN1ALDH1A1
SCHEMBL9429006 0.86 HRH1 (0.60) HRH1HRH2DRD2DRD3HTR1A
SCHEMBL9429616 0.86 HRH3 (0.58) HRH1HRH2DRD2HRH3MEN1
SCHEMBL9428476 0.84 ALDH1A1 (0.58) HRH1HRH2DRD2DRD3HTR1A
SCHEMBL9428742 0.84 HRH1 (0.47) HRH1HRH2DRD2DRD3HTR1A
SCHEMBL9428306 0.84 LMNA (0.59) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL9428590 0.84 DRD2 (0.48) HRH1HRH2DRD2DRD3HTR1A
SCHEMBL9429765 0.83 HRH3 (0.52) HRH1DRD2HTR1AHTR2AHRH3
Hydrochloric Acid SCHEMBL9428802 0.83 KMT2A (0.58) HRH1HTR2CDRD2DRD3HTR2A
SCHEMBL9429583 0.82 MEN1 (0.44) HRH1CCR3HRH2DRD2HTR1A

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