SCHEMBL20357928

SCHEMBL20357928

COc1cc(CNC(=O)c2ccc(COc3cccc([C@@H](NC(=O)O)c4ccccc4)c3)cc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.60
▸ CHRM3 P20309 19/20 0.60

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
SCHEMBL20357930 1.00 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL20357931 1.00 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL20357780 0.93 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL15776804 0.93 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL15776802 0.93 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL15776805 0.93 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL20357784 0.91 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL15778222 0.91 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL15778220 0.91 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL15777637 0.91 ADRB2 (0.66) 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-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 — — EP disclosed
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