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SCHEMBL22839902

SCHEMBL22839902

CNc1c(O)ccc(C(O)CNCC2CCN(C(=O)c3cncc(-c4cccc(C(C(=O)OCC5CCN(Cc6ccccc6)CC5)c5ccccc5)c4)n3)CC2)c1/C=C\C=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.37
▸ CHRM3 P20309 13/20 0.37
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ CXCR4 P61073 1/20 0.30

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
SCHEMBL22839974 0.91 ADRB2 (0.40) ADRB2CHRM3DRD2DRD4
SCHEMBL19784600 0.89 ADRB2 (0.40) ADRB2CHRM3BCHEACHEBACE1
SCHEMBL19784370 0.81 ADRB2 (0.50) ADRB2CHRM3
SCHEMBL19784099 0.79 ADRB2 (0.42) ADRB2CHRM3
SCHEMBL22839981 0.79 ADRB2 (0.46) ADRB2CHRM3DRD2DRD4
SCHEMBL22839907 0.79 ADRB2 (0.45) ADRB2CHRM3DRD2DRD4
SCHEMBL22839921 0.78 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22839991 0.77 ADRB2 (0.52) ADRB2CHRM3
SCHEMBL22839800 0.77 ADRB2 (0.49) ADRB2CHRM3
SCHEMBL22839971 0.77 ADRB2 (0.49) ADRB2CHRM3

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-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP disclosed
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