SCHEMBL7756745

SCHEMBL7756745

O=c1[nH]c2ccc(CCCN3CCCCC3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.63
HTR2C P28335 7/20 0.63
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL7756727 0.99 HTR1A (0.64) HTR1AHTR2CDRD2HTR2ATMEM97
SCHEMBL7763020 0.88 HTR1A (0.62) HTR1AHTR2CDRD2HTR2A
SCHEMBL467277 0.87 HTR1A (0.61) HTR1AHTR2CDRD2HTR2A
SCHEMBL8870746 0.85 HTR1A (0.53) HTR1AHTR2CDRD2HTR2A
SCHEMBL8869966 0.85 HTR1A (0.53) HTR1AHTR2CDRD2HTR2A
SCHEMBL8870600 0.84 HTR1A (0.54) HTR1AHTR2CDRD2HTR2A
SCHEMBL8948040 0.84 HTR1A (0.61) HTR1AHTR2CDRD2HTR2A
SCHEMBL8870102 0.83 SIGMAR1 (0.57) HTR1AHTR2C
SCHEMBL8870042 0.83 SIGMAR1 (0.57) HTR1AHTR2C
SCHEMBL8948002 0.83 HTR1A (0.87) HTR1AHTR2CDRD2HTR2A

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