SCHEMBL22829235

SCHEMBL22829235

COc1cc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1C(=O)N1CCC(c2cccc(C(O)(C(=O)O)c3ccccc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.65
▸ CHRM3 P20309 19/20 0.65

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
SCHEMBL22829234 1.00 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL19782544 0.89 ADRB2 (0.82) ADRB2CHRM3
SCHEMBL20684399 0.89 ADRB2 (0.82) ADRB2CHRM3
SCHEMBL22829101 0.89 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL22829103 0.89 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL22829202 0.88 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL22829204 0.88 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL22839866 0.87 ADRB2 (0.54) ADRB2CHRM3
SCHEMBL22829139 0.85 ADRB2 (0.52) ADRB2CHRM3
SCHEMBL22829143 0.85 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 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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