SCHEMBL3786554

SCHEMBL3786554

C=CCN1CC2CCC1(CN(C(=O)O)c1ccc(S(=O)(=O)CCC)cc1)CC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 4/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3710931 0.83 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL3786553 0.79 RORC (0.32) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL3704054 0.73 SLC6A9 (0.47)
Hydrochloric Acid SCHEMBL3705815 0.71 SLC6A9 (0.35)
SCHEMBL7895340 0.67 SLC6A9 (0.62)
SCHEMBL3706848 0.67 SLC6A9 (0.62)
SCHEMBL4241763 0.60 SLC6A9 (0.34) OPRM1OPRD1OPRK1
SCHEMBL4238324 0.60 SLC6A9 (0.34) OPRM1OPRD1OPRK1
SCHEMBL3704216 0.60 SLC6A9 (0.62)
SCHEMBL4241759 0.58 SLC6A9 (0.36) OPRD1

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