SCHEMBL8948263

SCHEMBL8948263

CN1C[S+]([O-])c2cc(CCCN3CCCCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
HRH1 P35367 3/20 0.47
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
DRD2 P14416 1/20 0.45
LTA4H P09960 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 2/20 0.39
SCN5A Q14524 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
TERT O14746 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
TMEM97 Q5BJF2 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
SCHEMBL8948173 0.99 SIGMAR1 (0.46) SIGMAR1HRH1SLC6A4SLC6A3DRD2
SCHEMBL7759833 0.88 SIGMAR1 (0.51) SIGMAR1HRH3CHRM2KCNH2
SCHEMBL8948349 0.87 SLC6A4 (0.37) SIGMAR1SLC6A4SLC6A3DRD2HRH3
SCHEMBL8100564 0.86 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL8869700 0.86 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL9449991 0.85 SIGMAR1 (0.47) SIGMAR1HRH1HRH3CHRM2KCNH2
SCHEMBL8958234 0.84 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL8116418 0.84 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL9449597 0.82 SIGMAR1 (0.55) SIGMAR1TMEM97
SCHEMBL9685609 0.82 DRD2 (0.39) SIGMAR1DRD2HTR2C

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-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed