SCHEMBL29631450

SCHEMBL29631450

COc1cc(C(=O)N2CCC3(CCN(C(=O)COc4cccc([C@](O)(C(=O)OCC5CCN(Cc6ccccc6)CC5)c5ccccc5)c4)CC3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.79
▸ CHRM3 P20309 20/20 0.79

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
SCHEMBL18537760 1.00 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL18017279 1.00 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL20307322 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL17985940 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL17978973 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL18017302 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL20307363 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL29631537 0.92 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL20307268 0.91 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL18537773 0.91 ADRB2 (0.70) ADRB2CHRM3

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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
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