SCHEMBL9812005

SCHEMBL9812005

CCOC(=O)COc1ccc(C[C@@H](C)N(C[C@H](O)COc2ccccc2)C[C@@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.51
ADRB1 P08588 10/20 0.51
ADRB2 P07550 8/20 0.51
CYP2D6 P10635 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
MAOB P27338 1/20 0.43

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
SCHEMBL9811996 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9812013 1.00 ADRB3 (0.51) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL10528566 0.92 ADRB3 (0.58) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL10528572 0.92 ADRB3 (0.58) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL10528560 0.92 ADRB3 (0.58) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9812087 0.92 ADRB3 (0.61) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10528595 0.92 ADRB3 (0.57) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10528576 0.92 ADRB3 (0.57) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10528588 0.92 ADRB3 (0.57) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9812021 0.89 ADRB3 (0.60) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170121-B1 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY BEECHAM GROUP PLC (GB) 1991-06-19 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed