SCHEMBL4574935

SCHEMBL4574935

CC(=O)N(CCCCN1CCN(c2cccc3sccc23)CC1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.58
HTR2A P28223 16/20 0.58
HTR1A P08908 14/20 0.58
HTR2C P28335 3/20 0.56
ADRA1A P35348 3/20 0.56
HRH1 P35367 3/20 0.56
KCNH2 Q12809 3/20 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
Hydrochloric Acid SCHEMBL4574113 0.85 DRD2 (0.59) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4574716 0.84 DRD2 (0.58) DRD2HTR2AHTR1AHTR2CADRA1A
Hydrochloric Acid SCHEMBL4574818 0.83 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4574733 0.83 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
Hydrochloric Acid SCHEMBL4574995 0.82 DRD2 (0.56) DRD2HTR2AHTR1AHTR2CADRA1A
Hydrochloric Acid SCHEMBL4574351 0.82 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4574903 0.82 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4574004 0.81 DRD2 (0.61) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL29433199 0.80 DRD2 (0.75) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL4574843 0.80 DRD2 (0.58) DRD2HTR2AHTR1AHTR2CADRA1A

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