SCHEMBL4760733

SCHEMBL4760733

CC(=O)ON(C(=O)Nc1cccc(C)c1)c1cccc(COCCOCCCCCCNCC(O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.67
ADRB1 P08588 16/20 0.67
ADRB3 P13945 16/20 0.67

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
SCHEMBL924639 1.00 ADRB2 (0.67) ADRB2ADRB1ADRB3
SCHEMBL925311 0.94 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL927060 0.94 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL15327822 0.94 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL925370 0.94 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL926488 0.93 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL925467 0.93 ADRB2 (0.66) ADRB2ADRB1ADRB3
SCHEMBL925730 0.92 ADRB2 (0.68) ADRB2ADRB1ADRB3
SCHEMBL925470 0.92 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL927304 0.91 ADRB2 (0.70) 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-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed