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SCHEMBL21573503

SCHEMBL21573503

CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(CCC(=O)N2CCC(C(=O)O[C@@H](CN)C3CCCCC3)(c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.50
▸ CHRM3 P20309 11/20 0.50
▸ ADRB1 P08588 8/20 0.44

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
SCHEMBL21573505 0.94 ADRB2 (0.50) ADRB2CHRM3ADRB1
SCHEMBL18897381 0.93 ADRB2 (0.50) ADRB2CHRM3ADRB1
SCHEMBL21568543 0.88 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL21568542 0.88 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL18259986 0.86 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18259984 0.86 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL21573499 0.85 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL18897336 0.83 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL18897354 0.81 ADRB2 (0.61) ADRB2CHRM3ADRB1
SCHEMBL21568557 0.81 ADRB2 (0.53) ADRB2CHRM3ADRB1

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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