SCHEMBL2882479

SCHEMBL2882479

Cc1ccc(C(=O)N2CC(F)(F)OC3(CCN(Cc4cccc(CCNC[C@H](O[Si](C)(C)C(C)(C)C)n5c(=O)ccc6cccc(O)c65)c4)CC3)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.35
CHRM3 P20309 3/20 0.35
ADRB1 P08588 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
CHRM2 P08172 2/20 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
SCHEMBL2139343 0.81 ADRB2 (0.41) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2139328 0.81 ADRB2 (0.41) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10241878 0.76 ADRB2 (0.48) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2142861 0.74 CHRM2 (0.40) CHRM3CHRM2
SCHEMBL2142872 0.71 ADRB2 (0.35) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2138554 0.71 CHRM3 (0.44) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2138543 0.71 CHRM3 (0.44) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2142928 0.67 ADRB2 (0.47) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10241726 0.67 ADRB2 (0.47) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10241540 0.66 ADRB2 (0.55) ADRB2CHRM3ADRB1DRD2ADRA1D

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-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed