SCHEMBL14166359

SCHEMBL14166359

O=C(NCCCNC[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(COc2cccc(Cc3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.65
▸ CHRM3 P20309 10/20 0.65
▸ ADRB1 P08588 9/20 0.59
▸ ADRB3 P13945 1/20 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
SCHEMBL17074633 0.89 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL14166020 0.89 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17074632 0.89 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL28442824 0.88 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL16205007 0.88 ADRB2 (0.76) ADRB2CHRM3ADRB1ADRB3
SCHEMBL28435358 0.88 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL14166350 0.88 ADRB2 (0.76) ADRB2CHRM3ADRB1ADRB3
SCHEMBL16205006 0.88 ADRB2 (0.76) ADRB2CHRM3ADRB1ADRB3
SCHEMBL28435363 0.88 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL14166223 0.87 ADRB2 (0.74) ADRB2CHRM3ADRB1ADRB3

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-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 — — EP disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 — — WO disclosed
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