SCHEMBL6000239

SCHEMBL6000239

CCCC[Si](C)(C)O[C@@H](CN[C@H](C)Cc1cccc(CCC(=O)NCc2c(OC)cccc2OC)c1)c1ccc(O)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.50
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL4255206 0.89 ADRB2 (0.51) ADRB2
SCHEMBL4261671 0.89 ADRB2 (0.51) ADRB2
SCHEMBL4259073 0.85 ADRB2 (0.67) ADRB2
SCHEMBL5655877 0.85 ADRB2 (0.67) ADRB2
SCHEMBL4259060 0.85 ADRB2 (0.67) ADRB2
SCHEMBL5999952 0.82 ADRB2 (0.56) ADRB2
SCHEMBL4260261 0.82 ADRB2 (0.58) ADRB2
SCHEMBL4260276 0.82 ADRB2 (0.58) ADRB2
SCHEMBL6000023 0.82 ADRB2 (0.58) ADRB2
SCHEMBL4267350 0.80 ADRB2 (0.52) ADRB2ADRB1

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-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP disclosed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO disclosed