SCHEMBL21573522

SCHEMBL21573522

O=Cc1cccc(OCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.68
▸ ADRB1 P08588 12/20 0.68
▸ CHRM3 P20309 7/20 0.57

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
SCHEMBL21573515 0.89 ADRB2 (0.70) ADRB2ADRB1CHRM3
SCHEMBL16205167 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL14166120 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL17074694 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL16204965 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL24404472 0.83 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL14166091 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL14694679 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL14166089 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3
SCHEMBL17074696 0.83 ADRB2 (0.73) ADRB2ADRB1CHRM3

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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