SCHEMBL9429006

SCHEMBL9429006

Cn1c(N2CCN(CCCOc3ccccc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.60
DRD3 P35462 4/20 0.60
HTR1A P08908 3/20 0.60
DRD2 P14416 3/20 0.60
HTR2A P28223 3/20 0.60
TMEM97 Q5BJF2 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
HRH2 P25021 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NPC1 O15118 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL9429366 0.94 ALDH1A1 (0.52) HRH1DRD3HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9428580 0.92 MEN1 (0.51) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428835 0.89 DRD2 (0.54) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428736 0.88 DRD3 (0.53) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428476 0.88 ALDH1A1 (0.58) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428373 0.88 DRD2 (0.58) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9429324 0.88 DRD2 (0.56) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428466 0.88 MEN1 (0.49) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428590 0.87 DRD2 (0.48) HRH1DRD3HTR1ADRD2HTR2A
SCHEMBL9428306 0.87 LMNA (0.59) DRD3HTR1ADRD2HTR2ATMEM97

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