SCHEMBL1038683

SCHEMBL1038683

O=c1c2cc(O)ccc2ccn1CCCCN1CCN(c2cccc3sccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.57
HTR2A P28223 11/20 0.57
HTR1A P08908 10/20 0.57
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
SLC6A4 P31645 1/20 0.54
GPR183 P32249 1/20 0.54
HTR7 P34969 1/20 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
Bromide SCHEMBL1039154 0.99 DRD2 (0.56) DRD2HTR2AHTR1AADRB2ADRB1
SCHEMBL1037955 0.88 DRD2 (0.63) DRD2HTR2AHTR1ASLC6A4ADRA1A
SCHEMBL1036129 0.86 DRD2 (0.61) DRD2HTR2AHTR1AADRB2ADRB1
Hydrochloric Acid SCHEMBL1036490 0.86 DRD2 (0.60) DRD2HTR2AHTR1AADRB2ADRB1
SCHEMBL5539823 0.85 DRD2 (0.61) DRD2HTR2AHTR1AADRB2ADRB1
SCHEMBL1037956 0.80 DRD2 (0.67) DRD2HTR2AHTR1AADRB2ADRB1
Hydrochloric Acid SCHEMBL1038759 0.79 DRD2 (0.66) DRD2HTR2AHTR1AADRB2ADRB1
SCHEMBL29433199 0.78 DRD2 (0.75) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL1038256 0.76 DRD2 (0.70) DRD2HTR2AHTR1AADRB2ADRB1
Hydrochloric Acid SCHEMBL1040466 0.76 DRD2 (0.69) DRD2HTR2AHTR1AADRB2ADRB1

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-1869025-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
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