SCHEMBL19903844

SCHEMBL19903844

CN(CCOC(=O)c1ccc(COc2cccc(C(NC=O)c3ccccc3)c2)cc1)Sc1ccc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.54
▸ CHRM3 P20309 18/20 0.54
▸ CACNA1C Q13936 1/20 0.45
▸ ADRB1 P08588 1/20 0.44

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 0.86 ADRB2 (0.57) ADRB2CHRM3CACNA1CADRB1
SCHEMBL19984607 0.85 ADRB2 (0.56) ADRB2CHRM3CACNA1CADRB1
SCHEMBL19903836 0.84 CHRM3 (0.56) ADRB2CHRM3CACNA1C
SCHEMBL19984547 0.82 ADRB2 (0.62) ADRB2CHRM3CACNA1CADRB1
SCHEMBL20373307 0.82 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL20373394 0.82 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL20373390 0.82 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL19984714 0.82 ADRB2 (0.55) ADRB2CHRM3ADRB1
SCHEMBL15776984 0.80 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL15776977 0.80 ADRB2 (0.64) ADRB2CHRM3ADRB1

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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