SCHEMBL8078465

SCHEMBL8078465

CC1CCC(C)(C(N[S+]([O-])C(C)(C)C)c2ccccc2)N(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.33
SLC6A5 Q9Y345 1/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL8085454 1.00 SLC6A9 (0.33) SLC6A9SLC6A5SIGMAR1
SCHEMBL8091606 0.82 OPRD1 (0.34)
SCHEMBL8098119 0.82 OPRD1 (0.34)
SCHEMBL13970161 0.80 SLC6A9 (0.31) SLC6A9SLC6A5
SCHEMBL3708336 0.77 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL4192554 0.77 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL4192550 0.77 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL13970253 0.75 SLC6A9 (0.40) SLC6A9SLC6A5
SCHEMBL8080629 0.75 SLC6A9 (0.40) SLC6A9SLC6A5
SCHEMBL13970169 0.75 SLC6A9 (0.40) 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