SCHEMBL21573585

SCHEMBL21573585

N#Cc1cccc(CN(C=O)CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.59
▸ ADRB1 P08588 17/20 0.59

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
SCHEMBL21573582 0.88 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL21573519 0.84 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL21573516 0.79 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL21573545 0.76 ADRB2 (0.77) ADRB2ADRB1
SCHEMBL21568660 0.75 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL3838046 0.74 ADRB2 (0.65) ADRB2ADRB1
SCHEMBL21573596 0.74 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL20373403 0.73 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL3189995 0.73 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL3190008 0.73 ADRB2 (0.60) 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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