SCHEMBL7761667

SCHEMBL7761667

COc1ccccc1N1CCN(CCCc2ccc3c(c2)[S+]([O-])CN3C)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
HTR1A P08908 8/20 0.57
HTR2C P28335 4/20 0.57
DRD3 P35462 1/20 0.55
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54

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 SCHEMBL9449688 0.93 ADRA1D (0.61) DRD2HTR1AHTR2CADRA1DADRA1A
SCHEMBL7766463 0.89 HTR7 (0.61) DRD2DRD3
SCHEMBL7761410 0.84 DRD2 (0.61) DRD2HTR1AHTR2CDRD3ADRA1D
SCHEMBL8787068 0.81 HTR1A (0.58) DRD2HTR1AHTR2CDRD3ADRA1D
SCHEMBL8948173 0.80 SIGMAR1 (0.46) DRD2
SCHEMBL8948263 0.79 SIGMAR1 (0.48) DRD2HTR2C
SCHEMBL9449863 0.78 HTR1A (0.58) DRD2HTR1AHTR2CDRD3
SCHEMBL7759833 0.78 SIGMAR1 (0.51)
SCHEMBL8786303 0.78 ADRA1D (0.60) DRD2HTR1AHTR2CADRA1DADRA1A
SCHEMBL7759855 0.78 CCR3 (0.58) DRD2

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 2 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
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed