SCHEMBL3981933

SCHEMBL3981933

CCCNC1CCc2nc(Br)sc2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.72
DRD2 P14416 8/20 0.72
DRD4 P21917 4/20 0.72
HRH2 P25021 2/20 0.72
ADRA2A P08913 2/20 0.72
HTR1B P28222 2/20 0.72
ADRB2 P07550 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
HTR2A P28223 1/20 0.72
HTR7 P34969 1/20 0.72
ADRA1A P35348 1/20 0.72
HRH1 P35367 1/20 0.72
HTR2B P41595 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
HRH4 Q9H3N8 1/20 0.72
SCN9A Q15858 2/20 0.40
SCN3A Q9NY46 2/20 0.40
SCN4A P35499 1/20 0.40

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
SCHEMBL17302433 0.85 DRD3 (0.72) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL3986802 0.84 DRD3 (0.71) DRD3DRD2DRD4HRH2ADRA2A
Pramipexole SCHEMBL195775 0.84 DRD3 (1.00) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL5709246 0.84 DRD3 (0.71) DRD3DRD2DRD4HRH2ADRA2A
Dexpramipexole SCHEMBL74780 0.84 DRD3 (1.00) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL4556236 0.84 DRD3 (0.71) DRD3DRD2DRD4HRH2ADRA2A
Pramipexole SCHEMBL35376 0.84 DRD3 (1.00) DRD3DRD2DRD4HRH2ADRA2A
Dexpramipexole SCHEMBL910147 0.83 ADRA2A (1.00) DRD3DRD2DRD4HRH2ADRA2A
Pramipexole SCHEMBL1193565 0.83 DRD3 (0.97) DRD3DRD2DRD4HRH2ADRA2A
Pramipexole SCHEMBL20524815 0.83 DRD3 (0.97) DRD3DRD2DRD4HRH2ADRA2A

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-2009056811-A2 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO disclosed