SCHEMBL2823748

SCHEMBL2823748

CC(Cc1ccc(OCC(F)(F)c2ccccc2)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.58
ADRB1 P08588 12/20 0.58
ADRA1A P35348 6/20 0.58
ADRA1D P25100 5/20 0.58
ADRA1B P35368 5/20 0.58
CYP2D6 P10635 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
ADRA2A P08913 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SLC6A4 P31645 2/20 0.58
DRD3 P35462 2/20 0.58
SLC6A3 Q01959 2/20 0.58
HTR1A P08908 1/20 0.58
SLC6A2 P23975 1/20 0.58
OPRM1 P35372 1/20 0.58

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
Formic Acid SCHEMBL2792053 0.97 ADRB2 (0.56) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2853303 0.93 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2853299 0.93 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2853304 0.93 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2793404 0.89 ADRB2 (0.47) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2828124 0.85 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL13232142 0.85 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2828122 0.85 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2823746 0.84 ADRB2 (0.69) ADRB2ADRB1ADRA1ACYP2D6CYP1A2
SCHEMBL13232144 0.84 ADRB2 (0.69) ADRB2ADRB1ADRA1ACYP2D6CYP1A2

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-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP claimed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 EP claimed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 WO claimed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP disclosed