SCHEMBL21573515

SCHEMBL21573515

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

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.70
▸ ADRB1 P08588 14/20 0.70
▸ CHRM3 P20309 5/20 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
SCHEMBL16205145 0.90 ADRB2 (0.66) ADRB2ADRB1CHRM3
SCHEMBL16205148 0.90 ADRB2 (0.66) ADRB2ADRB1CHRM3
SCHEMBL16205150 0.90 ADRB2 (0.66) ADRB2ADRB1CHRM3
SCHEMBL28444069 0.89 ADRB2 (0.67) ADRB2ADRB1CHRM3
SCHEMBL21573520 0.89 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL21573522 0.89 ADRB2 (0.68) ADRB2ADRB1CHRM3
SCHEMBL16205146 0.87 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL16205089 0.86 ADRB2 (0.67) ADRB2ADRB1CHRM3
SCHEMBL16205090 0.86 ADRB2 (0.67) ADRB2ADRB1CHRM3
SCHEMBL16205087 0.86 ADRB2 (0.67) 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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