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Sugi Predict / Compounds / SCHEMBL21568544

SCHEMBL21568544

SCHEMBL21568544

O=C(c1ccc(CNC(=O)C2(Cc3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)CC2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.63
▸ CHRM3 P20309 10/20 0.63
▸ ADRB1 P08588 3/20 0.45

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
SCHEMBL21568534 0.92 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL21568535 0.92 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL21568610 0.89 ADRB2 (0.70) ADRB2CHRM3ADRB1
SCHEMBL21568607 0.89 ADRB2 (0.70) ADRB2CHRM3ADRB1
SCHEMBL18897371 0.88 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL21568645 0.88 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL18260090 0.88 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL21568570 0.87 ADRB2 (0.79) ADRB2CHRM3ADRB1
SCHEMBL21568572 0.87 ADRB2 (0.79) ADRB2CHRM3ADRB1
SCHEMBL21568525 0.86 ADRB2 (0.62) 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 claimed
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