SCHEMBL2209598

SCHEMBL2209598

C=CC(=O)N(CCN(CC(Cc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12)C(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.43
ADRB1 P08588 20/20 0.43
DRD3 P35462 6/20 0.42

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
SCHEMBL2214145 0.99 ADRB2 (0.42) ADRB2ADRB1DRD3
SCHEMBL2213787 0.93 ADRB2 (0.39) ADRB2ADRB1DRD3
SCHEMBL2213782 0.91 ADRB2 (0.38) ADRB2ADRB1DRD3
SCHEMBL2211368 0.91 ADRB2 (0.38) ADRB2ADRB1DRD3
SCHEMBL2210752 0.91 ADRB2 (0.40) ADRB2ADRB1DRD3
SCHEMBL2212004 0.87 ADRB2 (0.42) ADRB2ADRB1DRD3
SCHEMBL2211946 0.83 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL2212515 0.83 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2215025 0.83 ADRB2 (0.55) ADRB2ADRB1DRD3
SCHEMBL2212359 0.83 ADRB2 (0.55) ADRB2ADRB1DRD3

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-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed