SCHEMBL20357834

SCHEMBL20357834

COc1ccc(-c2ccc(COc3cccc([C@@H](NC(=O)O)c4ccccc4)c3)cc2)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.56
▸ CHRM3 P20309 15/20 0.56
▸ DRD2 P14416 2/20 0.50
▸ DRD1 P21728 2/20 0.50
▸ DRD4 P21917 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ ADRB1 P08588 2/20 0.49
▸ ADRB3 P13945 1/20 0.49

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
SCHEMBL20357836 1.00 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL20357835 1.00 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL20357969 0.95 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL20357962 0.95 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL20357965 0.95 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL16697629 0.91 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL16697625 0.91 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL20373868 0.91 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL15776805 0.91 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL15776804 0.91 ADRB2 (0.56) ADRB2CHRM3DRD2DRD1DRD4

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-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 — — EP disclosed
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