SCHEMBL8330191

SCHEMBL8330191

COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.67
DRD3 P35462 7/20 0.67
HTR7 P34969 8/20 0.66
HTR2A P28223 8/20 0.66
HTR1A P08908 5/20 0.66
HTR6 P50406 5/20 0.66
DRD2 P14416 6/20 0.65
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
TSHR P16473 2/20 0.59
NFKB1 P19838 2/20 0.59
HIF1A Q16665 2/20 0.59
MAPK1 P28482 2/20 0.59
THPO P40225 1/20 0.59
CACNA1F O60840 1/20 0.59
ADRA2A P08913 1/20 0.59
ALOX15 P16050 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59

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
SCHEMBL8327302 0.87 DRD4 (0.67) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8583552 0.86 DRD4 (0.66) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8328645 0.85 DRD4 (0.67) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8327515 0.85 DRD4 (0.67) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8329763 0.85 DRD4 (0.67) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8329700 0.84 DRD4 (0.56) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8329358 0.83 DRD4 (0.72) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8327494 0.83 DRD4 (0.62) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8332122 0.82 HTR2A (0.69) DRD4DRD3HTR7HTR2AHTR1A
SCHEMBL8327065 0.81 DRD4 (0.60) DRD4DRD3HTR7HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 WO claimed
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 WO disclosed