SCHEMBL3838469

SCHEMBL3838469

COc1ccccc1C[C@@H](C)NCC(O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.65
ADRB1 P08588 20/20 0.65
ADRA1D P25100 8/20 0.65
DRD2 P14416 7/20 0.65
DRD3 P35462 1/20 0.53

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
SCHEMBL3834543 0.82 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801042 0.79 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801962 0.79 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1798743 0.79 ADRB2 (0.92) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1798742 0.79 ADRB2 (0.92) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801045 0.79 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1801961 0.79 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1798562 0.78 ADRB2 (0.91) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1798564 0.78 ADRB2 (0.91) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1800695 0.78 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3

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
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP claimed