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SCHEMBL18946387

SCHEMBL18946387

C[SiH](O[C@@H](CN(Cc1ccc(NC(=O)Cc2ccc(CC(=O)O)cc2)cc1)C(=O)OC(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.48
▸ ADRB1 P08588 5/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ CHRM3 P20309 2/20 0.35

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
SCHEMBL18918595 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18918596 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18946765 0.85 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL17979010 0.81 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL17979011 0.81 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL18557636 0.76 ADRB2 (0.38) ADRB2ADRB1
SCHEMBL18557604 0.75 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL17978784 0.75 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL17979195 0.75 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL18918588 0.72 ADRB2 (0.45) ADRB2ADRB1ADRB3

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-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — WO disclosed
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