SCHEMBL8948173

SCHEMBL8948173

CN1C[S+]([O-])c2cc(CCCN3CCCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LTA4H P09960 1/20 0.44
HRH1 P35367 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40

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
SCHEMBL8948263 0.99 SIGMAR1 (0.48) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
SCHEMBL7759833 0.90 SIGMAR1 (0.51) SIGMAR1HRH3
SCHEMBL8948349 0.88 SLC6A4 (0.37) SIGMAR1DRD2SLC6A4SLC6A3HRH3
SCHEMBL9449991 0.86 SIGMAR1 (0.47) SIGMAR1HRH1HRH3
SCHEMBL8869700 0.85 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3
SCHEMBL8100564 0.85 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3
SCHEMBL9449597 0.83 SIGMAR1 (0.55) SIGMAR1
SCHEMBL9685609 0.83 DRD2 (0.39) SIGMAR1DRD2
SCHEMBL8116418 0.83 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3
SCHEMBL8958234 0.83 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3

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