SCHEMBL4574007

SCHEMBL4574007

CCNCCCCN1CCN(c2cccc3sccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.61
HTR2A P28223 15/20 0.61
HTR1A P08908 13/20 0.61
ADRA1A P35348 5/20 0.60
HRH1 P35367 5/20 0.60
KCNH2 Q12809 5/20 0.60
HTR2C P28335 4/20 0.60
SLC6A4 P31645 1/20 0.56

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
SCHEMBL29433199 0.88 DRD2 (0.75) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL24719761 0.85 DRD2 (0.66) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL28719638 0.85 DRD2 (0.65) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL4574004 0.83 DRD2 (0.61) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL4624803 0.83 DRD2 (0.58) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL22302867 0.82 DRD2 (0.63) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL4574186 0.82 DRD2 (0.60) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL31733938 0.82 DRD2 (0.67) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL30176777 0.82 DRD2 (0.67) DRD2HTR2AHTR1AADRA1AHRH1
SCHEMBL4573898 0.82 DRD2 (0.67) DRD2HTR2AHTR1AADRA1AHRH1

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
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO claimed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed