SCHEMBL19784584

SCHEMBL19784584

O=C(NCc1ccc(-c2cccc(C(O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)s1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)s1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.87
▸ CHRM3 P20309 20/20 0.87

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
SCHEMBL19782257 1.00 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL20684402 1.00 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL20684419 0.93 ADRB2 (0.92) ADRB2CHRM3
SCHEMBL20684418 0.93 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL19782253 0.93 ADRB2 (0.92) ADRB2CHRM3
SCHEMBL19782488 0.93 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL22829255 0.91 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL19782245 0.91 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL19782256 0.91 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL20684375 0.91 ADRB2 (0.86) 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
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — WO disclosed
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