SCHEMBL13823213

SCHEMBL13823213

OCc1cc(C(O)CNCCc2ccc(OCCC34CC5CC(CC3C5)C4)cc2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.63
ADRB1 P08588 9/20 0.60
ADRA1D P25100 1/20 0.54

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
SCHEMBL2747189 0.91 ADRB2 (0.64) ADRB2ADRB1ADRA1D
SCHEMBL6155697 0.79 ADRB2 (0.77) ADRB2ADRB1ADRA1D
SCHEMBL5430171 0.79 ADRB2 (0.70) ADRB2ADRB1ADRA1D
SCHEMBL5287662 0.79 ADRB2 (0.70) ADRB2ADRB1ADRA1D
SCHEMBL5281502 0.79 ADRB2 (0.77) ADRB2ADRB1ADRA1D
SCHEMBL6141175 0.78 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL6142851 0.78 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL6142850 0.78 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL2747615 0.77 ADRB2 (0.52) ADRB2ADRB1ADRA1D
SCHEMBL5430606 0.77 ADRB2 (0.74) ADRB2ADRB1ADRA1D

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
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed