SCHEMBL1039929

SCHEMBL1039929

O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cccc2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.67
HTR2A P28223 7/20 0.67
HTR1A P08908 6/20 0.67
KCNH2 Q12809 2/20 0.67
ADRA2A P08913 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
HRH1 P35367 1/20 0.67
ADRA1B P35368 1/20 0.67
HTR2C P28335 2/20 0.61
SLC6A4 P31645 1/20 0.58
DRD2 P14416 4/20 0.57
DRD4 P21917 2/20 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
SCHEMBL9394771 0.85 DRD3 (0.50) DRD3HTR2AHTR1AKCNH2ADRA2A
SCHEMBL9272319 0.82 HTR1A (0.67) HTR2AHTR1ADRD2
SCHEMBL9213659 0.82 DRD3 (0.51) DRD3HTR2AHTR1AKCNH2ADRA2A
Hydrochloric Acid SCHEMBL9391525 0.82
SCHEMBL4523269 0.81 HTR1A (1.00) DRD3HTR2AHTR1AHTR2C
SCHEMBL1039928 0.80 DRD3 (1.00) DRD3HTR2AHTR1AKCNH2ADRA2A
SCHEMBL13160196 0.79 DRD3 (0.65) DRD3HTR2AHTR1AHTR2CDRD2
SCHEMBL31061220 0.78 DRD3 (0.84) DRD3HTR2AHTR1AHTR2CDRD2
SCHEMBL4523984 0.77 DRD3 (1.00) DRD3HTR2AHTR1AKCNH2HTR2C
SCHEMBL4527831 0.77 DRD3 (1.00) DRD3HTR2AHTR1AKCNH2ADRA2A

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
EP-2081907-B1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIV SIENA (IT) 2011-01-26 EP claimed