SCHEMBL3982865

SCHEMBL3982865

O=C(NCCCCCCc1ccccc1)c1ccc2ncccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
ADRA1D P25100 1/20 0.62
HTR2A P28223 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
ADRA1B P35368 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.62
HDAC1 Q13547 3/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HSP90AA1 P07900 1/20 0.55
KDM4B O94953 1/20 0.55
PTAFR P25105 2/20 0.54
PLK1 P53350 1/20 0.54
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 2/20 0.53

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
SCHEMBL3979860 1.00 HTR1A (0.62) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL13844754 0.99 HTR1A (0.63) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3981507 0.84 PLK1 (0.61) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3976758 0.84 PLK1 (0.61) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3980469 0.84 PLK1 (0.61) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL12705231 0.84 PLK1 (0.61) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3981757 0.84 PLK1 (0.61) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL1041880 0.84 HTR1A (0.62) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL1041626 0.84 HTR1A (0.62) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL3978755 0.84 HTR1A (0.62) HTR1AADRA2AADRA2BADRA2CADRA1D

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-2009057668-A1 AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 WO disclosed
WO-2009057668-A1 AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 WO disclosed