SCHEMBL19894743

SCHEMBL19894743

CN(CCOC(=O)c1ccc(COc2cccc(C(NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.79
▸ ADRB2 P07550 19/20 0.79
▸ CACNA1C Q13936 1/20 0.66

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
SCHEMBL15775727 1.00 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL16561160 1.00 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL19894746 1.00 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL16561159 1.00 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL19894879 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL19894756 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL19894758 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL15775741 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL15787283 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C
SCHEMBL19894760 0.94 CHRM3 (0.79) CHRM3ADRB2CACNA1C

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-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 — — EP claimed
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 — — EP disclosed
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