SCHEMBL28899452

SCHEMBL28899452

CCc1cc2c(cc1CC)CC(NC[C@H](OC(=O)C(=O)O[C@@H](CNC1Cc3cc(CC)c(CC)cc3C1)c1ccc(OCc3ccccc3)c3[nH]c(=O)ccc13)c1ccc(OCc3ccccc3)c3[nH]c(=O)ccc13)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.53
ADRB1 P08588 8/20 0.53
DRD3 P35462 3/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SRSF6 Q13247 1/20 0.53
CYP1B1 Q16678 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36

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
SCHEMBL1382609 0.94 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL15621927 0.94 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL15621685 0.94 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL20377450 0.93 ADRB2 (0.53) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL15621712 0.93 ADRB2 (0.53) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL28899450 0.90 ADRB2 (0.52) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL16999078 0.89 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL29634634 0.88 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL867630 0.88 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL30410254 0.88 ADRB2 (0.68) 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
CN-107531636-B Process for preparing indacaterol or salt thereof 正大天晴药业集团股份有限公司 2022-11-25 CN disclosed