SCHEMBL8103431

SCHEMBL8103431

COc1ccc2c(N3CCN(CCCCn4nc(C)ccc4=O)CC3)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
HTR1A P08908 6/20 0.60
HTR2A P28223 5/20 0.60
DRD4 P21917 4/20 0.60
HTR7 P34969 4/20 0.60
DRD3 P35462 3/20 0.60
ADRA2A P08913 3/20 0.60
ADRA2C P18825 3/20 0.60
HRH2 P25021 3/20 0.60
ADRA1A P35348 3/20 0.60
HRH1 P35367 3/20 0.60
ADRA1B P35368 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
HTR6 P50406 3/20 0.60
ADRB2 P07550 2/20 0.60
ADRB1 P08588 2/20 0.60
ADRA2B P18089 2/20 0.60
DRD1 P21728 2/20 0.60
SLC6A2 P23975 2/20 0.60
ADRA1D P25100 2/20 0.60

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
SCHEMBL7681457 0.86 HTR1A (0.60) DRD2HTR1AHTR2ADRD4HTR7
SCHEMBL7681588 0.84 HTR1A (0.58) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL7690136 0.80 HTR1A (0.66) HTR1AHTR2ADRD4HTR7ADRA2A
SCHEMBL7684230 0.80 HTR1A (0.52) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9287993 0.76 DRD4 (0.53) DRD2HTR1AHTR2ADRD4HTR7
SCHEMBL4546509 0.75 HTR1A (1.00) DRD2HTR1AHTR2ADRD4HTR7
SCHEMBL5372148 0.73 DRD2 (0.66) DRD2HTR1AHTR2ADRD4HTR7
SCHEMBL7681514 0.73
SCHEMBL8595342 0.73 HTR1A (0.74) DRD2HTR1AHTR2ADRD4HTR7
SCHEMBL5370401 0.73 HTR1A (0.61) DRD2HTR1AHTR2ADRD4HTR7

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-1057820-A1 Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) 2000-12-06 EP claimed