SCHEMBL3708353

SCHEMBL3708353

CN1C(=O)C2CCC1(C(N[S+]([O-])C(C)(C)C)c1ccncc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.36

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
SCHEMBL7896578 1.00 SLC6A9 (0.36) SLC6A9
SCHEMBL4177209 0.89 SLC6A9 (0.36) SLC6A9
SCHEMBL4177205 0.89 SLC6A9 (0.36) SLC6A9
SCHEMBL3707332 0.89 SLC6A9 (0.36) SLC6A9
SCHEMBL3707269 0.89 SLC6A9 (0.37) SLC6A9
SCHEMBL7899372 0.89 SLC6A9 (0.37) SLC6A9
SCHEMBL3789660 0.83 HTR2A (0.32)
SCHEMBL3789656 0.83 HTR2A (0.32)
SCHEMBL7899351 0.81
SCHEMBL7899349 0.81

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-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed