SCHEMBL23198048

SCHEMBL23198048

O=C(O)C1(NCc2cccc(OCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.57
▸ CHRM3 P20309 10/20 0.57
▸ ADRB1 P08588 6/20 0.55

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
SCHEMBL23198046 1.00 ADRB2 (0.57) ADRB2CHRM3ADRB1
SCHEMBL23198031 0.97 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL23198034 0.97 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL18920922 0.90 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL23198084 0.89 ADRB2 (0.54) ADRB2CHRM3ADRB1
SCHEMBL23198081 0.89 ADRB2 (0.54) ADRB2CHRM3ADRB1
SCHEMBL23198068 0.88 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL23198043 0.88 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL23198066 0.88 ADRB2 (0.63) ADRB2CHRM3ADRB1
SCHEMBL18920924 0.88 ADRB2 (0.63) 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-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP claimed
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