SCHEMBL6074795

SCHEMBL6074795

COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.56
ADRB1 P08588 10/20 0.50
ADRB2 P07550 9/20 0.50

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
SCHEMBL6073869 0.89 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6073975 0.87 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL6074507 0.86 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL6073971 0.86 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7246049 0.85 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL6801052 0.84 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6074614 0.83 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL7640888 0.83 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL6800700 0.82 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL6073810 0.82 ADRB3 (0.59) ADRB3ADRB1ADRB2

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
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed