SCHEMBL19784419

SCHEMBL19784419

COc1cc(C(=O)O)c(Cl)cc1CN(CCc1ccc(O)c2[nH]c(=O)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.42
DRD2 P14416 3/20 0.42
DRD1 P21728 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
ADRB1 P08588 8/20 0.37
CHRM3 P20309 6/20 0.35

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
SCHEMBL24404476 0.91 ADRB2 (0.42) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL24404494 0.87 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL24404532 0.86 ADRB2 (0.39) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL22839857 0.86 ADRB2 (0.42) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19784426 0.85 ADRB2 (0.47) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL24404439 0.84 ADRB2 (0.41) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19784022 0.84 ADRB2 (0.39) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL24404580 0.83 ADRB2 (0.41) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL24404486 0.82 ADRB2 (0.37) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19784015 0.82 ADRB2 (0.38) ADRB2DRD2DRD1DRD4DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed