SCHEMBL16067282

SCHEMBL16067282

CCCCOc1ccc([C@@H](O)CN(C[C@H](O)c2ccc(OCCCC)c3[nH]c(=O)ccc23)C2Cc3cc(CC)c(CC)cc3C2)c2ccc(=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.49
ADRB1 P08588 9/20 0.49
DRD3 P35462 3/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SRSF6 Q13247 1/20 0.49
CYP1B1 Q16678 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37

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
SCHEMBL13868999 1.00 ADRB2 (0.49) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13865483 0.87 ADRB2 (0.47) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13865478 0.84 ADRB2 (0.55) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL18218109 0.84 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13868998 0.84 ADRB2 (0.72) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL16066898 0.84 ADRB2 (0.72) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL865931 0.83 ADRB2 (0.45) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL21204863 0.80 ADRB2 (0.66) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13869000 0.79 ADRB2 (0.71) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13617868 0.79 ADRB2 (0.47) ADRB2ADRB1DRD3SLC6A2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139485-A1 A METHOD FOR THE PREPARATION OF 5-[(R)-2-(5,6-DIETHYL-INDAN-2-YLAMINO)-L-HYDROXYETHYL]- 8-HYDROXY-(1H)-QUINOLIN-2-ONE (INDACATEROL) ZENTIVA, K.S. (CZ) 2014-09-18 WO disclosed