SCHEMBL20373813

SCHEMBL20373813

O=C(NCc1ccc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccc(COc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.65
▸ ADRB1 P08588 3/20 0.62
▸ ADRB3 P13945 1/20 0.61
▸ CHRM3 P20309 15/20 0.59

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
SCHEMBL28441272 0.92 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM3
SCHEMBL28441274 0.92 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM3
SCHEMBL15777637 0.89 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL17978746 0.89 ADRB2 (0.84) ADRB2CHRM3
SCHEMBL17979000 0.89 ADRB2 (0.84) ADRB2CHRM3
SCHEMBL15778220 0.89 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL20357784 0.89 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL15778222 0.89 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL17978859 0.85 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL17978862 0.85 ADRB2 (0.87) 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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