SCHEMBL13502573

SCHEMBL13502573

BC[C@]1(c2ccc3ccccc3c2)OC[C@@H](CCl)O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.37
SLC6A3 Q01959 14/20 0.37
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
SLC6A2 P23975 5/20 0.34
UTS2R Q9UKP6 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
SCHEMBL12132812 0.89 SLC6A4 (0.39) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL12132806 0.87 SLC6A4 (0.37) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL12132810 0.87 SLC6A4 (0.37) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL12662845 0.83 GRIN1 (0.36)
SCHEMBL12661565 0.81 SLC6A4 (0.39) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL12661542 0.79 HSP90AA1 (0.32) SLC6A3SLC6A2
SCHEMBL12662846 0.78 HSP90AA1 (0.44) SLC6A3SLC6A2
SCHEMBL12132845 0.71 GRIN1 (0.37)
SCHEMBL12132844 0.71 GRIN1 (0.37)
SCHEMBL12132801 0.71 GRIN1 (0.37)

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-2010013510-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND ダイソー株式会社 (JP) 2010-02-04 WO disclosed