SCHEMBL8258255

SCHEMBL8258255

C[C@@H]1CN(c2cccc3[nH]c(=O)oc23)C[C@H](C)N1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.47
HTR1A P08908 14/20 0.47
HTR2A P28223 2/20 0.44
MCHR1 Q99705 1/20 0.44
SLC6A4 P31645 4/20 0.41
HTR2B P41595 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL8253121 0.85 DRD2 (0.47) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL805311 0.79 DRD2 (0.58) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL29358670 0.79 DRD2 (0.58) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL1584476 0.78 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL30730668 0.78 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4
Pardoprunox SCHEMBL1584623 0.77 DRD2 (0.56) DRD2HTR1AHTR2AMCHR1SLC6A4
SCHEMBL13239009 0.76 DRD2 (0.57) DRD2HTR1AHTR2AMCHR1SLC6A4
SCHEMBL1443282 0.74 DRD2 (0.56) DRD2HTR1AHTR2AMCHR1
SCHEMBL8261012 0.74 HTR1A (0.48) DRD2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1886136 0.73 DRD2 (0.55) DRD2HTR1AHTR2AMCHR1

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