SCHEMBL14764804

SCHEMBL14764804

O=C(O)CCCCCCCCCCCCCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.58
HTR1A P08908 3/20 0.57
HTR2A P28223 3/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
DRD4 P21917 1/20 0.57
DRD5 P21918 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
SLC6A4 P31645 1/20 0.57
GPR183 P32249 1/20 0.57
HTR7 P34969 1/20 0.57

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
SCHEMBL14765091 1.00 DRD2 (0.58) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL14764631 1.00 DRD2 (0.58) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL14764835 1.00 DRD2 (0.58) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL14764951 1.00 DRD2 (0.58) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL23003856 0.91 DRD2 (0.52) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL16443012 0.90 DRD2 (0.56) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL16443235 0.90 DRD2 (0.56) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL16443028 0.90 DRD2 (0.56) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL16449622 0.90 DRD2 (0.56) DRD2HTR1AHTR2AADRB2ADRB1
SCHEMBL16449618 0.90 DRD2 (0.56) DRD2HTR1AHTR2AADRB2ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013035892-A1 PIPERAZINE- SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-14 WO disclosed