SCHEMBL19903847

SCHEMBL19903847

CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCN(C)C(=O)c3ccc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.57
▸ CHRM3 P20309 18/20 0.57
▸ ADRB1 P08588 1/20 0.47
▸ CACNA1C Q13936 1/20 0.46

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
SCHEMBL19984547 0.90 ADRB2 (0.62) ADRB2CHRM3ADRB1CACNA1C
SCHEMBL19903844 0.86 ADRB2 (0.54) ADRB2CHRM3ADRB1CACNA1C
SCHEMBL19903898 0.86 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL15787283 0.86 CHRM3 (0.79) ADRB2CHRM3CACNA1C
SCHEMBL19894758 0.86 CHRM3 (0.79) ADRB2CHRM3CACNA1C
SCHEMBL19894756 0.86 CHRM3 (0.79) ADRB2CHRM3CACNA1C
SCHEMBL19894760 0.86 CHRM3 (0.79) ADRB2CHRM3CACNA1C
SCHEMBL20373394 0.85 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL14166501 0.84 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL14166503 0.84 ADRB2 (0.61) ADRB2CHRM3

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-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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