SCHEMBL3976779

SCHEMBL3976779

O=C(Nc1cccc(COCCOCCCCCCNCC(O)c2ccc(O)c(CO)c2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.71
ADRB1 P08588 20/20 0.71
ADRB3 P13945 20/20 0.71

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
SCHEMBL925389 1.00 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL925386 1.00 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL925106 0.93 ADRB2 (0.81) ADRB2ADRB1ADRB3
SCHEMBL925107 0.93 ADRB2 (0.81) ADRB2ADRB1ADRB3
SCHEMBL925794 0.92 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL925791 0.92 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL925651 0.92 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL925649 0.92 ADRB2 (0.78) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL925962 0.92 ADRB2 (0.84) ADRB2ADRB1ADRB3
SCHEMBL925081 0.91 ADRB2 (0.81) ADRB2ADRB1ADRB3

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-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed