SCHEMBL21568676

SCHEMBL21568676

O=C(NCc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccc(C(=O)N2CC(C(=O)O)(c3ccccc3)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.65
▸ CHRM3 P20309 13/20 0.65
▸ ADRB1 P08588 3/20 0.51
▸ ADRB3 P13945 1/20 0.51

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
SCHEMBL21568677 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568629 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568631 1.00 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568666 0.94 ADRB2 (0.59) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568668 0.94 ADRB2 (0.59) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568535 0.93 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568534 0.93 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18897379 0.90 ADRB2 (0.56) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568632 0.90 ADRB2 (0.56) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568538 0.89 ADRB2 (0.77) ADRB2CHRM3ADRB1ADRB3

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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