SCHEMBL17468802

SCHEMBL17468802

Cc1cccc2c1CNCC(c1ccc(Cl)cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
GUSB P08236 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 1/20 0.33
CHRNA7 P36544 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
SCHEMBL17468804 0.86 PNMT (0.36) GUSBSLC6A2SLC6A3POLBHTR3A
SCHEMBL17468805 0.83 KDM4E (0.41) GUSBMAOBSLC6A4HTR3A
SCHEMBL17468758 0.81 CHRNB2 (0.33) GUSBPOLBMAOBSLC6A4
SCHEMBL17459280 0.77 GUSB (0.41) GUSBSLC6A2SLC6A3POLBMAOB
SCHEMBL23735394 0.75 KIF11 (0.38) KIF11SLC6A2POLBMAOBSLC6A4
SCHEMBL19684817 0.75 KIF11 (0.38) KIF11SLC6A2POLBMAOBSLC6A4
SCHEMBL19684818 0.75 KIF11 (0.38) KIF11SLC6A2POLBMAOBSLC6A4
SCHEMBL17469113 0.72 KIF11 (0.40) KIF11SLC6A2SLC6A3SLC6A4
SCHEMBL17459292 0.71 ESR1 (0.40) SLC6A2SLC6A3SLC6A4HTR3A
SCHEMBL17468765 0.68 SLC6A4 (0.38) SLC6A4HTR3A

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