SCHEMBL17459293

SCHEMBL17459293

CCN1Cc2ccccc2OC(c2cc3ccccc3s2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 8/20 0.46
SLC6A3 Q01959 8/20 0.46
DRD2 P14416 1/20 0.44
SLC22A12 Q96S37 2/20 0.36
CYP2A6 P11509 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CHRNA7 P36544 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL17459281 0.79 KDM4E (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL17469033 0.79 TSHR (0.30) SLC6A4SLC6A2SLC6A3
SCHEMBL17459294 0.79 KDM4E (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL17459364 0.78 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL17459339 0.78 SLC22A12 (0.34) SLC6A4SLC6A2SLC6A3SLC22A12
SCHEMBL4303829 0.77 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL17469121 0.77 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL17468345 0.76 MAOB (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL17469027 0.76 MAOB (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL17459288 0.75 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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