SCHEMBL8091656

SCHEMBL8091656

CCC1CCC(C)([C@H](NC(=O)c2c(Cl)cccc2Cl)c2ccccc2)N(C)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.62
SLC6A5 Q9Y345 1/20 0.48

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
SCHEMBL8086400 0.94 SLC6A9 (0.65) SLC6A9SLC6A5
SCHEMBL8089893 0.89 SLC6A9 (0.61) SLC6A9SLC6A5
SCHEMBL8086403 0.83 SLC6A9 (0.45) SLC6A9SLC6A5
SCHEMBL8088695 0.83 SLC6A9 (0.46) SLC6A9SLC6A5
SCHEMBL13970175 0.82 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL13970230 0.82 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL13970065 0.81 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL8086455 0.79 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL8085504 0.77 SLC6A9 (0.67) SLC6A9SLC6A5
SCHEMBL8091759 0.77 SLC6A9 (0.67) SLC6A9SLC6A5

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-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed