SCHEMBL9428322

SCHEMBL9428322

Cn1c(N2CCN(CCc3cccc(F)c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.57
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 2/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2A P28223 2/20 0.46
SIGMAR1 Q99720 4/20 0.45
HRH1 P35367 3/20 0.45
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTR1A P08908 2/20 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
SCHEMBL9429643 0.86 MEN1 (0.55) SLC6A3MEN1ALDH1A1KMT2ADRD2
Hydrochloric Acid SCHEMBL9428451 0.85 MEN1 (0.54) MEN1ALDH1A1KMT2ADRD2SIGMAR1
SCHEMBL9385183 0.81 SIGMAR1 (0.60) MEN1ALDH1A1KMT2ADRD2HTR2A
SCHEMBL9428590 0.80 DRD2 (0.48) MEN1ALDH1A1KMT2ADRD2SLC6A4
SCHEMBL9428318 0.80 MEN1 (0.54) MEN1ALDH1A1KMT2AHRH1
SCHEMBL9428804 0.79 ALDH1A1 (0.45) MEN1ALDH1A1KMT2ADRD2SLC6A4
SCHEMBL9428993 0.79 ALDH1A1 (0.50) MEN1ALDH1A1KMT2AHTR2ASIGMAR1
SCHEMBL9429307 0.79 SIGMAR1 (0.58) MEN1ALDH1A1KMT2ASIGMAR1HRH1
SCHEMBL9428246 0.79 MEN1 (0.52) MEN1ALDH1A1KMT2ADRD2HTR2A
SCHEMBL9428716 0.79 ALDH1A1 (0.52) MEN1ALDH1A1KMT2ADRD2HTR2A

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