SCHEMBL3713329

SCHEMBL3713329

C=CCN1C(=O)C2CCC1(C(NC(=O)O)c1ccc(SCCC)cc1)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.35
SLC6A5 Q9Y345 1/20 0.33
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
OXTR P30559 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3705108 0.85 SLC6A9 (0.38) SLC6A9SLC6A5L3MBTL1HPGD
SCHEMBL3711687 0.84 SLC6A9 (0.43) SLC6A9SLC6A5OXTR
SCHEMBL3709702 0.83 SLC6A9 (0.41) SLC6A9SLC6A5
SCHEMBL7894823 0.82
SCHEMBL7894825 0.82
SCHEMBL3707977 0.82
SCHEMBL7899357 0.74 MAPT (0.43) SLC6A9SLC6A5OXTR
SCHEMBL7895248 0.73 SCN9A (0.34) SLC6A9L3MBTL1
SCHEMBL3711967 0.68 OPRD1 (0.32) SLC6A9SLC6A5OXTR
SCHEMBL7894548 0.68 OPRD1 (0.32) SLC6A9SLC6A5OXTR

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