SCHEMBL8328645

SCHEMBL8328645

Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.67
HTR2A P28223 8/20 0.67
HTR7 P34969 8/20 0.67
DRD3 P35462 7/20 0.67
DRD2 P14416 6/20 0.67
HTR1A P08908 5/20 0.67
HTR6 P50406 5/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
TSHR P16473 2/20 0.67
NFKB1 P19838 2/20 0.67
HIF1A Q16665 2/20 0.67
CACNA1F O60840 1/20 0.67
ADRA2A P08913 1/20 0.67
ALOX15 P16050 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
HTR2C P28335 1/20 0.67
ADRA1A P35348 1/20 0.67

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
SCHEMBL8327515 0.87 DRD4 (0.67) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL8329763 0.87 DRD4 (0.67) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL8327302 0.87 DRD4 (0.67) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL8329358 0.85 DRD4 (0.72) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL8330191 0.85 DRD4 (0.67) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL5198398 0.84 DRD4 (0.74) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL8332122 0.84 HTR2A (0.69) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL5382639 0.82 DRD4 (0.76) DRD4HTR2AHTR7DRD3DRD2
SCHEMBL5399421 0.81 DRD4 (1.00) DRD4HTR2AHTR7DRD3DRD2
L-745870 SCHEMBL1059886 0.81 DRD4 (1.00) DRD4HTR2AHTR7DRD3DRD2

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