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SCHEMBL22839974

SCHEMBL22839974

CNc1c(O)ccc(C(O)CNCC2CCN(C(=O)c3ccc(-c4cccc(C(C(=O)OCC5CCN(Cc6ccccc6)CC5)c5ccccc5)c4)nc3)CC2)c1/C=C\C=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.40
▸ CHRM3 P20309 13/20 0.40
▸ PRKAA2 P54646 5/20 0.34
▸ PRKAB2 O43741 4/20 0.34
▸ PRKAG1 P54619 4/20 0.34
▸ PRKAA1 Q13131 4/20 0.34
▸ PRKAG3 Q9UGI9 4/20 0.34
▸ PRKAG2 Q9UGJ0 4/20 0.34
▸ PRKAB1 Q9Y478 4/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL19784600 0.93 ADRB2 (0.40) ADRB2CHRM3DRD2DRD4
SCHEMBL22839902 0.91 ADRB2 (0.37) ADRB2CHRM3DRD2DRD4
SCHEMBL19784370 0.84 ADRB2 (0.50) ADRB2CHRM3
SCHEMBL22839981 0.83 ADRB2 (0.46) ADRB2CHRM3DRD2DRD4
SCHEMBL22839907 0.82 ADRB2 (0.45) ADRB2CHRM3DRD2DRD4
SCHEMBL22839921 0.81 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22839971 0.79 ADRB2 (0.49) ADRB2CHRM3
SCHEMBL22839800 0.79 ADRB2 (0.49) ADRB2CHRM3
SCHEMBL19784099 0.79 ADRB2 (0.42) ADRB2CHRM3
SCHEMBL24404548 0.78 ADRB2 (0.52) 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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