SCHEMBL12101059

SCHEMBL12101059

C=C(c1csc(C)n1)N1CCOC2(CCN(CCOc3cccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)c3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.45
ADRB1 P08588 7/20 0.45
ADRB3 P13945 3/20 0.45
CHRM3 P20309 12/20 0.41
CHRM2 P08172 1/20 0.40
ADRA1D P25100 1/20 0.39

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
SCHEMBL10242438 0.94 CHRM3 (0.47) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL10242436 0.91 CHRM3 (0.47) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL10242460 0.84 CHRM3 (0.58) ADRB2ADRB1CHRM3CHRM2ADRA1D
SCHEMBL10241547 0.84 ADRB2 (0.50) ADRB2ADRB1CHRM3CHRM2ADRA1D
SCHEMBL2141525 0.83 CHRM3 (0.44) ADRB2CHRM3CHRM2
SCHEMBL2141507 0.83 CHRM3 (0.44) ADRB2CHRM3CHRM2
SCHEMBL10242478 0.82 CHRM3 (0.43) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL10242497 0.79 CHRM3 (0.46) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL12101037 0.79 CHRM3 (0.46) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL10241667 0.79 ADRB2 (0.55) ADRB2ADRB1CHRM3CHRM2ADRA1D

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