SCHEMBL21568638

SCHEMBL21568638

O=C(c1ccc(OCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.61
▸ ADRB1 P08588 6/20 0.61
▸ CHRM3 P20309 13/20 0.60
▸ ADRB3 P13945 2/20 0.53

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
SCHEMBL21568635 1.00 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568655 1.00 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568653 1.00 ADRB2 (0.61) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568606 0.99 ADRB2 (0.62) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568605 0.99 ADRB2 (0.62) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568623 0.94 ADRB2 (0.55) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568621 0.94 ADRB2 (0.55) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568624 0.94 ADRB2 (0.64) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568626 0.94 ADRB2 (0.64) ADRB2ADRB1CHRM3ADRB3
SCHEMBL21568561 0.94 ADRB2 (0.64) ADRB2ADRB1CHRM3ADRB3

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 2 patents. 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
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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