Salmeterol

Salmeterol

SCHEMBL6152211

CO.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Salmeterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 19/20 0.96
ADRB1 P08588 17/20 0.96
ADRB3 P13945 17/20 0.96
KDM4E B2RXH2 2/20 0.96
MEN1 O00255 2/20 0.96
TP53 P04637 2/20 0.96
CYP3A4 P08684 2/20 0.96
MAPK1 P28482 2/20 0.96
KMT2A Q03164 2/20 0.96
HTR1A P08908 1/20 0.96
CHRM5 P08912 1/20 0.96
DRD2 P14416 1/20 0.96
ADRA2B P18089 1/20 0.96
DRD4 P21917 1/20 0.96
SLC6A2 P23975 1/20 0.96
FPR3 P25089 1/20 0.96
ADRA1D P25100 1/20 0.96
HTR1D P28221 1/20 0.96
HTR1B P28222 1/20 0.96
HTR2A P28223 1/20 0.96

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
Salmeterol SCHEMBL4452108 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4767 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4768 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29393289 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL4450046 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29397921 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL7176067 0.97 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL28889602 0.97 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29266779 0.97 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL4454918 0.96 ADRB2 (0.96) ADRB2ADRB1ADRB3KDM4EMEN1

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-1496857-A1 AEROSOL CONTAINING A PARTICULATE ACTIVE SUBSTANCE Nektar Therapeutics UK Ltd (GB) 2005-01-19 EP disclosed
WO-2003088945-A1 AEROSOL CONTAINING A PARTICULATE ACTIVE SUBSTANCE NEKTAR THERAPEUTICS UK LTD (GB) 2003-10-30 WO disclosed
CN-1062854-C Salmeterol kinafoate with controlled particular size GLAXO GROUP LTD (GB) 2001-03-07 CN disclosed
CN-1129932-A Salmeterol xinafoate with controlled particle size GLAXO GROUP LTD (GB) 1996-08-28 CN disclosed