SCHEMBL22829168

SCHEMBL22829168

O=C(NCc1ccc(-c2ccc([C@](O)(C(=O)O)c3ccccc3)cc2)s1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.70
▸ CHRM3 P20309 16/20 0.70
▸ ADRB1 P08588 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
SCHEMBL22829170 1.00 ADRB2 (0.70) ADRB2CHRM3ADRB1
SCHEMBL22829074 0.97 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL22829075 0.97 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL22829188 0.91 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL22829186 0.91 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL22829099 0.91 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL22829100 0.91 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL22829149 0.89 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL22829150 0.89 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL22829128 0.89 ADRB2 (0.65) ADRB2CHRM3ADRB1

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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