SCHEMBL16205033

SCHEMBL16205033

O=C(O)NC(c1ccccc1)c1cccc(OCc2ccc(CCNC[C@@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.74
▸ CHRM3 P20309 13/20 0.74
▸ ADRB1 P08588 2/20 0.58

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
SCHEMBL16205035 1.00 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL16205030 1.00 ADRB2 (0.74) ADRB2CHRM3ADRB1
SCHEMBL15777978 0.95 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL15777980 0.95 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL15777982 0.95 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL20357860 0.95 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL17082532 0.95 ADRB2 (0.67) ADRB2CHRM3ADRB1
SCHEMBL14166362 0.94 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL14166365 0.94 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL14166364 0.94 ADRB2 (0.66) ADRB2CHRM3ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 — — US claimed
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