SCHEMBL3711967

SCHEMBL3711967

C=CCN1C(=O)C2CCC1(C(N[S+]([O-])C(C)(C)C)c1ccccc1)CC2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
OXTR P30559 1/20 0.32
SLC6A9 P48067 7/20 0.32
SLC6A5 Q9Y345 1/20 0.32
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL7894548 1.00 OPRD1 (0.32) OPRD1OPRM1OPRK1OPRL1OXTR
SCHEMBL7894823 0.86
SCHEMBL3707977 0.86
SCHEMBL7894825 0.86
SCHEMBL4177209 0.82 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL3707332 0.82 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL4177205 0.82 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL4185907 0.80 SLC6A9 (0.36) OPRD1SLC6A9SLC6A5
SCHEMBL4186222 0.80 SLC6A9 (0.36) OPRD1SLC6A9SLC6A5
SCHEMBL4185911 0.80 SLC6A9 (0.36) OPRD1SLC6A9SLC6A5

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