SCHEMBL6046911

SCHEMBL6046911

OCc1cc(C(O)CNc2ccc(CCNC(CO)c3ccc(O)c(CO)c3)cc2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.76
ADRB1 P08588 4/20 0.69

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
SCHEMBL4862750 0.81 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL5006903 0.81 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4867697 0.81 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4867689 0.81 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4889035 0.81 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4872802 0.79 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL3843014 0.74 ADRB2 (0.90) ADRB2ADRB1
SCHEMBL3843009 0.74 ADRB2 (0.90) ADRB2ADRB1
SCHEMBL13617814 0.74 ADRB2 (0.90) ADRB2ADRB1
SCHEMBL13617622 0.72 ADRB2 (1.00) 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-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP claimed
EP-1019075-B1 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2005-08-24 EP claimed