SCHEMBL8301319

SCHEMBL8301319

COc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.69
ADRB3 P13945 16/20 0.65
ADRB1 P08588 12/20 0.65
ADRB2 P07550 12/20 0.65
GLA P06280 1/20 0.63
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59

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
SCHEMBL7211873 1.00 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7148487 1.00 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7148491 1.00 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL10838570 0.91 SLC2A1 (0.67) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL10839684 0.90 SLC2A1 (0.65) SLC2A1ADRB3ADRB1ADRB2GLA
Bromide SCHEMBL10973917 0.89 SLC2A1 (0.64) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL8974973 0.89 SLC2A1 (0.60) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7152931 0.87 ADRB2 (0.53) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7152935 0.87 ADRB2 (0.53) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7147388 0.87 ADRB2 (0.52) SLC2A1ADRB3ADRB1ADRB2GLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455006-B1 Substituted 5-(2-((2-aryl-2-hydroxyethyl)amino)propyl)-1,3-benzodioxoles AMERICAN CYANAMID CO (US) 1999-07-07 EP disclosed
US-5373020-A Antidiabetic, antiobesity, hyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1994-12-13 US disclosed
US-5245053-A Resolution of diastereoisomers, reaction with Mosher's acid hypoglycemic agent, diabetes AMERICAN CYANAMID COMPANY (US) 1993-09-14 US disclosed
US-5151439-A Antidiabetic agents or antihyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1992-09-29 US disclosed
EP-0455006-A2 Substituted 5-(2-((2-aryl-2-hydroxyethyl)amino)propyl)-1,3-benzodioxoles AMERICAN CYANAMID COMPANY (US) 1991-11-06 EP disclosed
US-5061727-A ANTIOBESITY, ANTIDIABETIC, HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1991-10-29 US disclosed