SCHEMBL8260753

SCHEMBL8260753

CN1CCN(c2cccc3[nH]c(=S)oc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.47
DRD2 P14416 12/20 0.43
DRD3 P35462 3/20 0.43
HTR6 P50406 2/20 0.42
ADRA2C P18825 1/20 0.41
HTR1A P08908 8/20 0.41
HTR2A P28223 2/20 0.39
MCHR1 Q99705 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
Pardoprunox SCHEMBL805311 0.82 DRD2 (0.58) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL29358670 0.82 DRD2 (0.58) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL1584476 0.81 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL30730668 0.81 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL1584623 0.80 DRD2 (0.56) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL1584493 0.76 DRD2 (0.53) DRD2HTR1AHTR2AMCHR1SLC6A4
SCHEMBL26382430 0.69 PSMB8 (0.61) PSMB8
SCHEMBL13533093 0.68 DRD2 (0.64) DRD2HTR1AHTR2AMCHR1SLC6A4
SCHEMBL10514753 0.67
SCHEMBL13239009 0.67 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4

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-2006061379-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed