SCHEMBL22829157

SCHEMBL22829157

COc1cc(C(=O)NCc2cc(-c3ccc(C(O)(C(=O)O)c4ccccc4)cc3)cs2)ccc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.56
▸ CHRM3 P20309 17/20 0.55
▸ ADRB1 P08588 1/20 0.45

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
SCHEMBL22829155 1.00 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL22829095 0.90 ADRB2 (0.62) ADRB2CHRM3
SCHEMBL22829097 0.90 ADRB2 (0.62) ADRB2CHRM3
SCHEMBL22829118 0.89 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL22829117 0.89 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL22829140 0.87 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL22829142 0.87 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL19782599 0.86 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL20684404 0.86 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL19782597 0.86 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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