SCHEMBL7211873

SCHEMBL7211873

COc1ccc(CC(C)NCC(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
SCHEMBL7148487 1.00 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7148491 1.00 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL8301319 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663360-A REACTING 3,4-DIMETHOXYAMPHETAMINE WITH 3-CHLOROMANDELIC ACID F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 1997-09-02 US claimed
US-5468865-A EFFICIENCY CELGENE CORPORATION (US) 1995-11-21 US claimed
WO-1995029903-A1 STEREOPREFERENTIAL SYNTHESIS OF 3-(1-PHENYLPROP-2-YL)-5-PHENYLOXAZOLIDINONES CELGENE CORPORATION (US) 1995-11-09 WO claimed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 EP claimed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP claimed
JP-10036359-A None JP disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0455006-B1 Substituted 5-(2-((2-aryl-2-hydroxyethyl)amino)propyl)-1,3-benzodioxoles AMERICAN CYANAMID CO (US) 1999-07-07 EP disclosed
JP-H1036359-A PRODUCTION OF 5-(3-CHLOROPHENYL)-3-(2-(3,4-DIMETHOXYPHENYL)-1-METHYLETHYL)-2-OXAZOLIDINONE SUMITOMO CHEM CO LTD 1998-02-10 JP disclosed
US-5151439-A Antidiabetic agents or antihyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1992-09-29 US disclosed
US-5106867-A Administering substituted 1,3-benzodioxole antilipogenic agent AMERICAN CYANAMID COMPANY (US) 1992-04-21 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
US-4622342-A HYPOGLYCEMIC AGENTS, ANTIOBESITY BEECHAM GROUP P.L.C. (GB) 1986-11-11 US disclosed
US-4582854-A BRONCHODILATOR, ANTIINFLAMMATORY AGENT, ANALGESIC E. R. SQUIBB & SONS, INC. (US) 1986-04-15 US disclosed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 EP disclosed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed