SCHEMBL9006828

SCHEMBL9006828

C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.86
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
OPRK1 P41145 2/20 0.65
ADRA1A P35348 5/20 0.59
ADRB1 P08588 5/20 0.59
CYP2D6 P10635 4/20 0.59
LMNA P02545 3/20 0.59
ADRA2A P08913 3/20 0.59
SLC6A2 P23975 3/20 0.59
OPRM1 P35372 3/20 0.59
SLC6A3 Q01959 3/20 0.59
HIF1A Q16665 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAPK1 P28482 3/20 0.59
HTR1A P08908 2/20 0.59
DRD3 P35462 2/20 0.59
HTR2B P41595 2/20 0.59
CYP1A2 P05177 2/20 0.59
NFKB1 P19838 2/20 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
SCHEMBL10731594 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
SCHEMBL9006843 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
SCHEMBL11480783 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
SCHEMBL9006836 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
SCHEMBL9006822 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
SCHEMBL11480791 1.00 ADRB2 (0.86) ADRB2MEN1KMT2AOPRK1ADRA1A
Hydrochloric Acid SCHEMBL10560977 0.99 ADRB2 (0.84) ADRB2MEN1KMT2AOPRK1ADRA1A
Hydrochloric Acid SCHEMBL11462907 0.99 ADRB2 (0.84) ADRB2MEN1KMT2AOPRK1ADRA1A
Hydrochloric Acid SCHEMBL11462909 0.99 ADRB2 (0.84) ADRB2MEN1KMT2AOPRK1ADRA1A
Acetic Acid SCHEMBL10562052 0.95 ADRB2 (0.78) ADRB2MEN1KMT2AOPRK1ADRA1A

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 11 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
US-5236951-A Administering a phenylethanolamine derivative SANOFI (FR) 1993-08-17 US 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-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 EP claimed
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP disclosed
US-5236951-A Administering a phenylethanolamine derivative SANOFI (FR) 1993-08-17 US disclosed
EP-0255415-B1 USE OF PHENYLETHANOLAMINES FOR THE PREPARATION OF MEDICAMENTS ACTING ON GASTROINTESTINAL TROUBLES ELF SANOFI (FR) 1993-04-14 EP disclosed
US-5002946-A Gastrointestinal diseases associated with smooth muscle contractions SANOFI (FR) 1991-03-26 US disclosed
EP-0403360-A2 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI (FR) 1990-12-19 EP disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed