SCHEMBL21573520

SCHEMBL21573520

Cc1ccc(OCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.71
▸ ADRB1 P08588 18/20 0.71
▸ ADRB3 P13945 4/20 0.65

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
SCHEMBL21573555 0.91 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL21573587 0.90 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL21573515 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL19984602 0.86 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL16205138 0.85 ADRB2 (0.72) ADRB2ADRB1ADRB3
SCHEMBL16205142 0.85 ADRB2 (0.72) ADRB2ADRB1ADRB3
SCHEMBL16205141 0.85 ADRB2 (0.72) ADRB2ADRB1ADRB3
SCHEMBL16205089 0.84 ADRB2 (0.67) ADRB2ADRB1
SCHEMBL16205090 0.84 ADRB2 (0.67) ADRB2ADRB1
SCHEMBL16205087 0.84 ADRB2 (0.67) ADRB2ADRB1

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-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
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