SCHEMBL22839804

SCHEMBL22839804

COc1cc(C(=O)NCc2ncc(-c3cccc(C(O)(C(=O)OCC4CCN(Cc5ccccc5)CC4)c4ccccc4)c3)cn2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.79
▸ CHRM3 P20309 20/20 0.79

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
SCHEMBL20684432 1.00 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL19770193 1.00 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL20684379 0.92 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL19770189 0.92 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL19782023 0.92 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL22839821 0.92 ADRB2 (0.77) ADRB2CHRM3
SCHEMBL19770195 0.92 ADRB2 (0.77) ADRB2CHRM3
SCHEMBL20684393 0.92 ADRB2 (0.77) ADRB2CHRM3
SCHEMBL20684372 0.91 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL20684369 0.91 ADRB2 (0.78) 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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