SCHEMBL17469072

SCHEMBL17469072

CCN1Cc2ccccc2OC(c2ccc(-c3ccnc(F)c3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NISCH Q9Y2I1 2/20 0.32
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
LTA4H P09960 3/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
FFAR1 O14842 1/20 0.31
MAOB P27338 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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 0.85 MAOB (0.43) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17459309 0.83 LTA4H (0.40) SLC6A2SLC6A4SLC6A3LTA4HHRH3
SCHEMBL17469070 0.80 GUSB (0.41) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL17469159 0.80 ALDH1A1 (0.39) LTA4HACHEHRH3
SCHEMBL17469138 0.80 DRD2 (0.36) LTA4H
SCHEMBL17469152 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3LTA4HBCHE
SCHEMBL17469144 0.80 LTA4H (0.34) SLC6A2SLC6A4SLC6A3LTA4HMAOB
SCHEMBL17469148 0.80 KDM1A (0.42) MAOB
SCHEMBL17469165 0.78 MAOB (0.47) SLC6A4LTA4HHRH3MAOB
SCHEMBL17469027 0.78 MAOB (0.42) 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