SCHEMBL5506829

SCHEMBL5506829

c1ccc2c(c1)CCN(CCCCN1CCN(c3cccc4sccc34)CC1)C2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.63
HTR2A P28223 11/20 0.63
HTR1A P08908 10/20 0.63
HTR2C P28335 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
KCNH2 Q12809 1/20 0.55

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 0.87 DRD2 (0.75) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL1036171 0.83 DRD2 (0.70) DRD2HTR2AHTR1A
SCHEMBL1036300 0.82 DRD2 (0.69) DRD2HTR2AHTR1A
SCHEMBL293734 0.81 DRD2 (0.67) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4573898 0.81 DRD2 (0.67) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL31733938 0.81 DRD2 (0.67) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL30176777 0.81 DRD2 (0.67) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL1036176 0.80 DRD2 (0.70) DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL1038207 0.80 DRD2 (0.70) DRD2HTR2AHTR1A
SCHEMBL24312876 0.80 DRD2 (0.65) 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-1869025-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
WO-2006112464-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 WO disclosed