SCHEMBL19984547

SCHEMBL19984547

CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCc3ccc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.62
▸ CHRM3 P20309 12/20 0.62
▸ DRD2 P14416 2/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ CACNA1C Q13936 1/20 0.50
▸ ADRB1 P08588 5/20 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
SCHEMBL19903847 0.90 ADRB2 (0.57) ADRB2CHRM3CACNA1CADRB1
SCHEMBL20373394 0.90 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL19903898 0.88 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL14240818 0.85 CHRM3 (0.76) ADRB2CHRM3CACNA1CADRB1
SCHEMBL19903858 0.85 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL19970974 0.85 CHRM3 (0.87) ADRB2CHRM3CACNA1C
SCHEMBL16579657 0.85 CHRM3 (0.87) ADRB2CHRM3CACNA1C
SCHEMBL15786721 0.85 CHRM3 (0.87) ADRB2CHRM3CACNA1C
SCHEMBL16579656 0.85 CHRM3 (0.87) ADRB2CHRM3CACNA1C
SCHEMBL19970975 0.85 CHRM3 (0.87) ADRB2CHRM3CACNA1C

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
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 — — EP disclosed
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