SCHEMBL30637697

SCHEMBL30637697

[2H]C([2H])([2H])Oc1ccc(C(O)CNC(C)CCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.54
SLC6A4 P31645 2/20 0.52
ADRA1A P35348 2/20 0.52
HTR1A P08908 1/20 0.52
SLC6A2 P23975 1/20 0.52
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB3 P13945 6/20 0.43
ADRB1 P08588 6/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
DRD2 P14416 2/20 0.41
PGR P06401 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL28009602 0.93 HTR1A (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10907492 0.85 ADRB2 (0.76) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10907139 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10710220 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10904955 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10710222 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL10907140 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
SCHEMBL8855264 0.83 ADRB2 (0.59) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
Hydrochloric Acid SCHEMBL10907493 0.82 ADRB2 (0.57) ADRB2SLC6A4ADRA1AHTR1ASLC6A2
Hydrochloric Acid SCHEMBL10907149 0.82 ADRB2 (0.57) ADRB2SLC6A4ADRA1AHTR1ASLC6A2

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-117571893-A Ultrasonic probe auxiliary enzymolysis device and method 中国农业科学院农业质量标准与检测技术研究所 2024-02-20 CN claimed
CN-114563507-B Treatment method, detection method and application of beta-receptor agonist residues in animal tissues 中国农业科学院农业质量标准与检测技术研究所 2023-11-10 CN claimed
CN-117571893-A Ultrasonic probe auxiliary enzymolysis device and method 中国农业科学院农业质量标准与检测技术研究所 2024-02-20 CN disclosed
CN-115656396-B Liquid chromatography-mass spectrometry detection method for simultaneously determining multiple beta-receptor agonists in meat 南京农业大学 2023-08-29 CN disclosed