SCHEMBL16205032

SCHEMBL16205032

O=C(O)N(Cc1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.58
▸ ADRB1 P08588 9/20 0.58
▸ CHRM3 P20309 1/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ DRD1 P21728 2/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ ADRA1D P25100 1/20 0.56
▸ ADRB3 P13945 1/20 0.56

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
SCHEMBL17074617 0.96 ADRB2 (0.58) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL14166243 0.94 ADRB2 (0.59) ADRB2ADRB1CHRM3DRD2DRD1
Formic Acid SCHEMBL16205012 0.94 ADRB2 (0.58) ADRB2ADRB1CHRM3DRD2DRD1
Formic Acid SCHEMBL17074740 0.90 ADRB2 (0.57) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL14166020 0.90 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL17074633 0.90 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL17074632 0.90 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL14166259 0.89 ADRB2 (0.65) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL16205038 0.89 ADRB2 (0.59) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17074656 0.88 ADRB2 (0.64) ADRB2ADRB1CHRM3

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 3 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-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP disclosed
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