SCHEMBL3718593

SCHEMBL3718593

CC(C)(C)[S@@+]([O-])N[C@H](c1ccccc1)C12CCC(CC1)N2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.43
SLC6A5 Q9Y345 1/20 0.37
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3711767 1.00 SLC6A9 (0.43) SLC6A9SLC6A5LMNAHPGD
SCHEMBL2125188 0.88 SLC6A9 (0.39) SLC6A9SLC6A5
SCHEMBL2126165 0.88 SLC6A9 (0.39) SLC6A9SLC6A5
SCHEMBL2126423 0.88 SLC6A9 (0.39) SLC6A9SLC6A5
SCHEMBL2124573 0.83 SLC6A9 (0.51) SLC6A9SLC6A5
SCHEMBL3707332 0.77 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL4177205 0.77 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL4177209 0.77 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL4192554 0.77 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL4192550 0.77 SLC6A9 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391628-A1 2-AZA-BICYCLOÝ2.2.1¨HEPTANE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2011-12-07 EP disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed