SCHEMBL9006835

SCHEMBL9006835

COC(=O)COc1ccc(CC(C)NC[C@@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 1.00
ADRB2 P07550 11/20 1.00
ADRB1 P08588 8/20 1.00
GLA P06280 1/20 1.00
CYP2D6 P10635 2/20 0.83
ADRA1D P25100 1/20 0.83
ADRA1A P35348 1/20 0.83
ADRA1B P35368 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
CYP3A4 P08684 1/20 0.80
HIF1A Q16665 1/20 0.80
SLC2A1 P11166 4/20 0.73

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
SCHEMBL5144149 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL5144151 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL5144153 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL4611391 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL29460100 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL9317314 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL9799484 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Trifluoroacetic Acid SCHEMBL9318455 0.94 ADRB3 (0.89) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL9812022 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL9436811 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1GLACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP claimed
EP-0255415-B1 USE OF PHENYLETHANOLAMINES FOR THE PREPARATION OF MEDICAMENTS ACTING ON GASTROINTESTINAL TROUBLES ELF SANOFI (FR) 1993-04-14 EP claimed
US-5002946-A Gastrointestinal diseases associated with smooth muscle contractions SANOFI (FR) 1991-03-26 US claimed
EP-0403360-A2 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI (FR) 1990-12-19 EP claimed
EP-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 EP claimed
US-4803293-A Tertiary amines BEECHAM GROUP PLC (GB) 1989-02-07 US disclosed
EP-0142102-B1 TERTIARY AMINES BEECHAM GROUP PLC (GB) 1987-09-23 EP disclosed
EP-0164700-A2 Bis(beta-hydroxy phenethyl)amines BEECHAM GROUP PLC (GB) 1985-12-18 EP disclosed