SCHEMBL12101024

SCHEMBL12101024

CN(CCc1cccc(CN2CCC3(CC2)CN(C(=O)c2cc4ccccc4s2)CCO3)c1F)C[C@H](O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.51
CHRM3 P20309 5/20 0.51
ADRB1 P08588 11/20 0.36
DRD2 P14416 7/20 0.36
ADRA1D P25100 6/20 0.36
CHRM2 P08172 4/20 0.36

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
SCHEMBL10242295 0.89 ADRB2 (0.63) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10242218 0.79 ADRB2 (0.67) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10242212 0.78 ADRB2 (0.67) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2141561 0.77 CHRM2 (0.46) CHRM3DRD2CHRM2
SCHEMBL10242193 0.77 ADRB2 (0.59) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2140442 0.77 ADRB2 (0.56) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL2140430 0.77 ADRB2 (0.56) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10242319 0.76 ADRB2 (0.64) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL12095843 0.76 ADRB2 (0.61) ADRB2CHRM3ADRB1DRD2ADRA1D
SCHEMBL10242196 0.76 ADRB2 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed