SCHEMBL21573545

SCHEMBL21573545

CN(CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.77
▸ ADRB1 P08588 18/20 0.77

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
SCHEMBL21573593 0.83 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL20373403 0.80 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL21573582 0.79 ADRB2 (0.74) ADRB2ADRB1
SCHEMBL2564506 0.78 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL2563829 0.77 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2566813 0.77 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL2563823 0.77 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2563254 0.77 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL2578225 0.77 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL2565756 0.77 ADRB2 (0.56) 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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