SCHEMBL21568563

SCHEMBL21568563

Cc1ccc(CN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C(=O)Cc2ccc(CC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.54
▸ ADRB1 P08588 16/20 0.54
▸ CHRM3 P20309 3/20 0.48

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
SCHEMBL21568565 1.00 ADRB2 (0.54) ADRB2ADRB1CHRM3
SCHEMBL21568674 0.97 ADRB2 (0.54) ADRB2ADRB1CHRM3
SCHEMBL21568675 0.97 ADRB2 (0.54) ADRB2ADRB1CHRM3
SCHEMBL21568573 0.94 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL21568575 0.94 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL21568546 0.93 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568549 0.93 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568611 0.91 ADRB2 (0.48) ADRB2ADRB1CHRM3
SCHEMBL21568591 0.90 ADRB2 (0.51) ADRB2ADRB1CHRM3
SCHEMBL21568594 0.90 ADRB2 (0.51) 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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