SCHEMBL22829152

SCHEMBL22829152

COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1C(=O)NCc1ccc(-c2cccc([C@](O)(C(=O)O)c3ccccc3)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.65
▸ CHRM3 P20309 16/20 0.65
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ DRD2 P14416 2/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ DRD3 P35462 2/20 0.46

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
SCHEMBL22829154 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3DRD2
SCHEMBL22829063 0.91 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL22829064 0.91 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL22829066 0.91 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL22829067 0.91 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL22829273 0.90 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3DRD2
SCHEMBL22829271 0.90 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3DRD2
SCHEMBL22829080 0.89 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL22829074 0.89 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL22829075 0.89 ADRB2 (0.75) 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 2 patents. 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 claimed
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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