SCHEMBL21568679

SCHEMBL21568679

O=C(CCc1ccc(C(=O)N(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)Cc2ccccc2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.56
▸ ADRB1 P08588 14/20 0.56
▸ CHRM3 P20309 3/20 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
SCHEMBL21568678 1.00 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL21568557 0.94 ADRB2 (0.53) ADRB2ADRB1CHRM3
SCHEMBL21568555 0.94 ADRB2 (0.53) ADRB2ADRB1CHRM3
SCHEMBL21568542 0.92 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568543 0.92 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL18260024 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL21573549 0.88 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL28341161 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18260021 0.88 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL21568531 0.88 ADRB2 (0.54) ADRB2ADRB1CHRM3

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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