SCHEMBL7756732

SCHEMBL7756732

[O-][S+]1CNc2ccc(CCCN3CCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LTA4H P09960 1/20 0.43
SIGMAR1 Q99720 7/20 0.42
HRH1 P35367 1/20 0.40
TERT O14746 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KCNJ1 P48048 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7756751 0.99 SIGMAR1 (0.44) DRD2SLC6A4SLC6A3LTA4HSIGMAR1
SCHEMBL7759822 0.89 SIGMAR1 (0.48) DRD2SIGMAR1KCNJ1
SCHEMBL9449426 0.82 SIGMAR1 (0.57) DRD2SIGMAR1
SCHEMBL8958333 0.80 SIGMAR1 (0.58) DRD2SIGMAR1
SCHEMBL7761410 0.80 DRD2 (0.61) DRD2
SCHEMBL8785466 0.77 DRD2 (0.46) DRD2SLC6A4
SCHEMBL8787068 0.77 HTR1A (0.58) DRD2
SCHEMBL8785483 0.76 HTR1A (0.48) DRD2SLC6A4SLC6A3SIGMAR1HRH1
SCHEMBL9684693 0.76 MEN1 (0.33)
SCHEMBL8116069 0.74 CCR3 (0.57) SLC6A4SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673934-B1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-25 EP disclosed
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed