SCHEMBL17469152

SCHEMBL17469152

CCN1Cc2ccccc2OC(c2ccc(-c3c(F)cccc3F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LTA4H P09960 7/20 0.34
RORC P51449 7/20 0.34
MAOB P27338 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL17469139 0.87 MAOB (0.43) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17459309 0.86 LTA4H (0.40) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17469027 0.83 MAOB (0.42) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17468345 0.83 MAOB (0.42) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17469070 0.82 GUSB (0.41) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL17469138 0.82 DRD2 (0.36) LTA4H
SCHEMBL17459287 0.81 LTA4H (0.38) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17459303 0.81 LTA4H (0.38) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17459409 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL17459277 0.81 LTA4H (0.38) SLC6A2SLC6A4SLC6A3LTA4HMAOB

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