SCHEMBL19894773

SCHEMBL19894773

O=C(CNC(=O)c1ccc(COc2cccc(C(NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1)OCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.87
▸ ADRB2 P07550 19/20 0.87
▸ CACNA1C Q13936 1/20 0.72

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
SCHEMBL19894771 1.00 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL16561277 1.00 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL15776165 1.00 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL16561278 1.00 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL14695269 0.94 ADRB2 (0.98) CHRM3ADRB2
SCHEMBL14695274 0.94 ADRB2 (0.98) CHRM3ADRB2
SCHEMBL14695278 0.94 ADRB2 (0.98) CHRM3ADRB2
SCHEMBL14694562 0.93 CHRM3 (1.00) CHRM3ADRB2CACNA1C
SCHEMBL14694563 0.93 CHRM3 (1.00) CHRM3ADRB2CACNA1C
SCHEMBL16708687 0.93 CHRM3 (1.00) 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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