SCHEMBL2850418

SCHEMBL2850418

CC(Cc1cccc(CN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)c2)CCO3)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.46
CHRM3 P20309 11/20 0.46
ADRB1 P08588 8/20 0.43
CHRM2 P08172 3/20 0.43

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
SCHEMBL2850405 1.00 ADRB2 (0.46) ADRB2CHRM3ADRB1CHRM2
SCHEMBL10242316 0.91 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL10242799 0.90 ADRB2 (0.47) ADRB2CHRM3ADRB1CHRM2
SCHEMBL2143065 0.83 CHRM3 (0.39) ADRB2CHRM3CHRM2
SCHEMBL2141468 0.82 CHRM3 (0.41) ADRB2CHRM3ADRB1CHRM2
SCHEMBL2141452 0.82 CHRM3 (0.41) ADRB2CHRM3ADRB1CHRM2
SCHEMBL10242312 0.81 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL2141729 0.81 CHRM3 (0.40) ADRB2CHRM3CHRM2
SCHEMBL2141707 0.81 CHRM3 (0.40) ADRB2CHRM3CHRM2
SCHEMBL12101027 0.81 ADRB2 (0.49) ADRB2CHRM3ADRB1

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