SCHEMBL4389062

SCHEMBL4389062

Cn1c(SCCCN2CCc3ccc(C#N)cc3C2)nnc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.63
DRD2 P14416 15/20 0.63
KCNH2 Q12809 11/20 0.63
HRH1 P35367 2/20 0.51
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
HRH2 P25021 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL4766034 0.94 DRD3 (0.70) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4389064 0.86 DRD3 (0.69) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4379086 0.84 DRD3 (0.52) DRD3DRD2KCNH2HRH1
SCHEMBL4378938 0.84 DRD3 (0.63) DRD3DRD2KCNH2HRH1HTR1A
Hydrochloric Acid SCHEMBL7200726 0.83 DRD3 (0.51) DRD3DRD2KCNH2HRH1
SCHEMBL4382046 0.83 DRD3 (0.64) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4395667 0.83 DRD3 (0.57) DRD3DRD2KCNH2HRH1
SCHEMBL4543121 0.83 DRD2 (0.57) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4387104 0.83 DRD3 (0.59) DRD3DRD2KCNH2HRH1HTR1A
Hydrochloric Acid SCHEMBL7203533 0.83 DRD3 (0.63) DRD3DRD2KCNH2HRH1

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
EP-1144405-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-11-25 EP disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed