SCHEMBL8305494

SCHEMBL8305494

CC(Cc1ccc2c(c1)OCO2)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.68
ADRB2 P07550 13/20 0.68
ADRB1 P08588 10/20 0.68
ADRA1D P25100 3/20 0.68
ADRA1A P35348 3/20 0.68
ADRA1B P35368 3/20 0.68
ADRA2A P08913 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
SLC2A1 P11166 3/20 0.67
ALOX15 P16050 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GLA P06280 1/20 0.56

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
SCHEMBL30051139 1.00 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL8305498 1.00 ADRB3 (0.68) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL15382678 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL364457 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL13959140 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL1592821 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL1770178 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL5465324 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7160000 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL10085311 0.83 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A

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 4 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-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