SCHEMBL29634634

SCHEMBL29634634

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.68
ADRB1 P08588 8/20 0.68
DRD3 P35462 3/20 0.68
SLC6A2 P23975 1/20 0.68
ADRA1D P25100 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
SLC6A4 P31645 1/20 0.68
ADRA1A P35348 1/20 0.68
ADRA1B P35368 1/20 0.68
SLC6A3 Q01959 1/20 0.68
SRSF6 Q13247 1/20 0.68
CYP1B1 Q16678 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44

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
SCHEMBL30410254 1.00 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL867631 1.00 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL1221324 1.00 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL867630 1.00 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL30022050 1.00 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
Hydrochloric Acid SCHEMBL19210042 0.99 ADRB2 (0.67) ADRB2ADRB1DRD3SLC6A2ADRA1D
Hydrochloric Acid SCHEMBL20377456 0.99 ADRB2 (0.67) ADRB2ADRB1DRD3SLC6A2ADRA1D
Hydrochloric Acid SCHEMBL29403732 0.99 ADRB2 (0.67) ADRB2ADRB1DRD3SLC6A2ADRA1D
Oxalic Acid SCHEMBL28899454 0.97 ADRB2 (0.65) ADRB2ADRB1DRD3SLC6A2ADRA1D
Oxalic Acid SCHEMBL30022041 0.97 ADRB2 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721534-B Indacaterol maleate intermediate and preparation method and application thereof 四川海思科制药有限公司 2022-05-20 CN claimed
WO-2023077678-A1 SMALL MOLECULE COMPOUND TARGETING SRSF6 PROTEIN AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2023-05-11 WO disclosed
CN-114591236-A Improved preparation method of indacaterol 四川海思科制药有限公司 2022-06-07 CN disclosed
CN-109721534-B Indacaterol maleate intermediate and preparation method and application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed