SCHEMBL14166121

SCHEMBL14166121

O=C(O)N(Cc1ccccc1)c1cccc(OCCc2ccc(-c3cccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.55
▸ ADRB1 P08588 12/20 0.55
▸ ADRA1D P25100 1/20 0.51
▸ ADRB3 P13945 3/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ DRD1 P21728 2/20 0.49
▸ DRD4 P21917 2/20 0.49
▸ DRD3 P35462 2/20 0.49

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
SCHEMBL14166243 0.89 ADRB2 (0.59) ADRB2ADRB1ADRA1DADRB3DRD2
SCHEMBL14694906 0.87 ADRB2 (0.58) ADRB2
SCHEMBL14166630 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL14166629 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL14166628 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL17074707 0.85 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL16205032 0.85 ADRB2 (0.58) ADRB2ADRB1ADRA1DADRB3DRD2
SCHEMBL17074656 0.84 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL14166338 0.84 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL14166233 0.84 ADRB2 (0.64) ADRB2ADRB1

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 7 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
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 — — EP claimed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 — — WO claimed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP disclosed
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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