SCHEMBL9428596

SCHEMBL9428596

Cn1c(N2CCN(CCCOc3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH1 P35367 6/20 0.47
HRH3 Q9Y5N1 5/20 0.46
TRIM24 O15164 2/20 0.46
CACNA1B Q00975 1/20 0.45
AR P10275 1/20 0.45
HRH2 P25021 2/20 0.45
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL9428248 0.99 MEN1 (0.47) MEN1MAPTKMT2AHRH1HRH3
SCHEMBL9428457 0.87 LTA4H (0.55) MEN1KMT2AHRH1HRH3HTR1A
Hydrochloric Acid SCHEMBL9428931 0.86 LTA4H (0.54) MEN1KMT2AHRH1HRH3HTR1A
SCHEMBL9428511 0.86 DRD2 (0.44) MEN1KMT2AHRH1HRH3AR
SCHEMBL9428603 0.86 MCOLN2 (0.44) MEN1MAPTKMT2AHRH1TRIM24
Hydrochloric Acid SCHEMBL9428714 0.85 DRD2 (0.43) MEN1MAPTKMT2AHRH1HRH3
SCHEMBL9879101 0.85 HRH3 (0.47) MEN1KMT2AHRH1HRH3
Hydrochloric Acid SCHEMBL9428258 0.85 MAPT (0.45) MEN1MAPTKMT2AHRH1TRIM24
SCHEMBL9429006 0.84 HRH1 (0.60) MEN1KMT2AHRH1HRH3HRH2
Hydrochloric Acid SCHEMBL9428526 0.84 HRH3 (0.46) MEN1KMT2AHRH1HRH3

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