SCHEMBL17469121

SCHEMBL17469121

CCN1Cc2ccccc2OC(c2ccc3ccccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.42
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 8/20 0.42
DRD2 P14416 1/20 0.40
CYP2D6 P10635 4/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL17468345 0.84 MAOB (0.42) SLC6A4SLC6A2SLC6A3CYP2D6DRD3
SCHEMBL17469027 0.84 MAOB (0.42) SLC6A4SLC6A2SLC6A3CYP2D6DRD3
SCHEMBL17469000 0.82 MAOB (0.50) SLC6A4CYP3A4LTA4H
SCHEMBL17459287 0.82 LTA4H (0.38) SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL17459309 0.82 LTA4H (0.40) SLC6A4SLC6A2SLC6A3KDM4ELTA4H
SCHEMBL17459303 0.82 LTA4H (0.38) SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL17459409 0.82 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL17459277 0.82 LTA4H (0.38) SLC6A4SLC6A2SLC6A3KDM4ELTA4H
SCHEMBL17459422 0.82 LMNA (0.48) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL17469111 0.81 DRD3 (0.40) SLC6A4SLC6A2SLC6A3DRD2DRD3

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