SCHEMBL16319301

SCHEMBL16319301

[CH2]c1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.76
ADRB1 P08588 18/20 0.76
ADRB3 P13945 17/20 0.76
KDM4E B2RXH2 2/20 0.76
MEN1 O00255 2/20 0.76
TP53 P04637 2/20 0.76
CYP3A4 P08684 2/20 0.76
MAPK1 P28482 2/20 0.76
KMT2A Q03164 2/20 0.76
HTR1A P08908 1/20 0.76
CHRM5 P08912 1/20 0.76
DRD2 P14416 1/20 0.76
ADRA2B P18089 1/20 0.76
DRD4 P21917 1/20 0.76
SLC6A2 P23975 1/20 0.76
FPR3 P25089 1/20 0.76
ADRA1D P25100 1/20 0.76
HTR1D P28221 1/20 0.76
HTR1B P28222 1/20 0.76
HTR2A P28223 1/20 0.76

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
SCHEMBL10477708 0.90 ADRB2 (0.80) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10477723 0.90 ADRB2 (0.80) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10464590 0.87 ADRB2 (0.76) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL27904933 0.87 ADRB2 (0.76) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4767 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29397921 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL4450046 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4452108 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29393289 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4768 0.86 ADRB2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2815739-B1 Inhalation composition filling method ARVEN ILAC SANAYI VE TICARET AS (TR) 2019-08-28 EP disclosed
EP-2815739-A1 Inhalation composition filling method Arven Ilac Sanayi Ve Ticaret A.S. (TR) 2014-12-24 EP disclosed