SCHEMBL1246858

SCHEMBL1246858

CC(C)c1nc(C(=O)N2CCOC3(CCN(CCc4cccc(CCOCCC(N)=O)c4)CC3)C2)cs1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 18/20 0.64
CHRM3 P20309 18/20 0.64
GAA P10253 1/20 0.37

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
Sulfuric Acid SCHEMBL1246829 0.97 CHRM2 (0.62) CHRM2CHRM3GAA
SCHEMBL1244873 0.94 CHRM2 (0.67) CHRM2CHRM3GAA
SCHEMBL1247302 0.90 CHRM2 (0.60) CHRM2CHRM3GAA
Trifluoroacetic Acid SCHEMBL1246818 0.90 CHRM2 (0.62) CHRM2CHRM3GAA
Trifluoroacetic Acid SCHEMBL1246785 0.90 CHRM2 (0.59) CHRM2CHRM3
SCHEMBL1246821 0.89 CHRM2 (0.58) CHRM2CHRM3GAA
SCHEMBL1245977 0.88 CHRM2 (0.60) CHRM2CHRM3GAA
SCHEMBL1246087 0.88 CHRM2 (0.66) CHRM2CHRM3
SCHEMBL1247074 0.87 CHRM2 (0.72) CHRM2CHRM3GAA
SCHEMBL1247057 0.85 CHRM2 (0.54) CHRM2CHRM3GAA

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-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed