SCHEMBL17459374

SCHEMBL17459374

CN1Cc2ccccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.56
SLC6A3 Q01959 11/20 0.56
SLC6A4 P31645 10/20 0.56
GUSB P08236 1/20 0.40
LTA4H P09960 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL17468761 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CHRM2ADRA2B
SCHEMBL10845375 0.86 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17459356 0.83 GUSB (0.40) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17459409 0.82 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17468994 0.81 LTA4H (0.40) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17469070 0.79 GUSB (0.41) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17459323 0.79 TAS1R3 (0.44) GUSBLTA4HKDM4ENPC1GAA
SCHEMBL17459363 0.77 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4DRD2DRD1
SCHEMBL17468774 0.77 LTA4H (0.38) SLC6A2SLC6A3SLC6A4GUSBLTA4H
SCHEMBL17459417 0.77 LTA4H (0.38) SLC6A2SLC6A3SLC6A4GUSBLTA4H

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed