SCHEMBL3782500

SCHEMBL3782500

C=CCN1CC2CCC1([C@@H](N[S+]([O-])C(C)(C)C)c1cccc(-c3cnn(C)c3)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.48
CREBBP Q92793 1/20 0.34
IRAK1 P51617 13/20 0.33
PFKFB3 Q16875 5/20 0.33
IRAK4 Q9NWZ3 6/20 0.32

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
SCHEMBL3782488 1.00 SLC6A9 (0.48) SLC6A9CREBBPIRAK1PFKFB3IRAK4
SCHEMBL3782491 1.00 SLC6A9 (0.48) SLC6A9CREBBPIRAK1PFKFB3IRAK4
SCHEMBL3780203 0.87 SLC6A9 (0.62) SLC6A9PFKFB3
SCHEMBL3705038 0.83 SLC6A9 (0.39) SLC6A9
SCHEMBL7894946 0.83 SLC6A9 (0.39) SLC6A9
SCHEMBL4185907 0.83 SLC6A9 (0.36) SLC6A9
SCHEMBL4185911 0.83 SLC6A9 (0.36) SLC6A9
SCHEMBL4186222 0.83 SLC6A9 (0.36) SLC6A9
SCHEMBL4185910 0.83 SLC6A9 (0.36) SLC6A9
SCHEMBL4196092 0.83 SLC6A9 (0.36) SLC6A9

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