SCHEMBL1388009

SCHEMBL1388009

COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.86
HTR7 P34969 9/20 0.86
HTR2A P28223 3/20 0.86
HTR2C P28335 2/20 0.86
DRD2 P14416 5/20 0.80
DRD4 P21917 1/20 0.80
ADRA1D P25100 1/20 0.80
ADRA1A P35348 1/20 0.80
ADRA1B P35368 1/20 0.80
DRD3 P35462 1/20 0.80
SLC6A4 P31645 1/20 0.80
HTR2B P41595 1/20 0.80
KCNH2 Q12809 1/20 0.80
ADRA2A P08913 5/20 0.77
HTR6 P50406 3/20 0.77
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61

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
SCHEMBL4776843 0.92 HTR1A (0.94) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL13944278 0.91 HTR1A (0.78) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL13944277 0.89 HTR1A (0.78) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL12672472 0.83 HTR7 (0.83) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL8577935 0.80 DRD2 (0.72) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL3162960 0.80 DRD2 (0.76) DRD2DRD4DRD3SLC6A4KCNH2
SCHEMBL6526368 0.80 DRD2 (0.85) HTR1AHTR7HTR2ADRD2ADRA1D
SCHEMBL9567514 0.80 DRD2 (0.67) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL9567518 0.79 DRD2 (0.66) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL8980634 0.79 HTR7 (0.67) HTR1AHTR7HTR2AHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09500883-A 1997-01-28 JP claimed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed