SCHEMBL10772483

SCHEMBL10772483

C[C@H](Cc1ccc(Cc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.83
ADRB3 P13945 15/20 0.73
ADRB2 P07550 13/20 0.73
ADRB1 P08588 10/20 0.73
CYP2D6 P10635 2/20 0.69
ADRA1D P25100 2/20 0.69
ADRA1A P35348 2/20 0.69
ADRA1B P35368 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
GLA P06280 1/20 0.67
CYP3A4 P08684 1/20 0.66
HIF1A Q16665 1/20 0.66
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63

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
SCHEMBL10772479 1.00 SLC2A1 (0.83) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9468413 0.97 SLC2A1 (0.80) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL10433615 0.96 SLC2A1 (0.78) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL11314022 0.94 SLC2A1 (0.81) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL11182206 0.92 SLC2A1 (0.83) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL10775119 0.92 SLC2A1 (0.97) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL11314994 0.91 SLC2A1 (0.78) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL10895539 0.91 SLC2A1 (0.81) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL7153428 0.91 SLC2A1 (0.81) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL7153891 0.91 SLC2A1 (0.81) SLC2A1ADRB3ADRB2ADRB1CYP2D6

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
EP-0233686-A2 Bis phenyl ethanol amines and bis phenyoxypropanolamines having a beta-agonist activity BEECHAM GROUP PLC (GB) 1987-08-26 EP claimed