SCHEMBL22829134

SCHEMBL22829134

C[C@@H](NC(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)N1CC=C(c2cccc([C@](O)(C(=O)O)c3ccccc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.58
▸ CHRM3 P20309 17/20 0.56

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
SCHEMBL22829180 1.00 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL22829137 1.00 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL22829209 0.90 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22829205 0.90 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22829132 0.89 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL22829136 0.89 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL22839982 0.89 ADRB2 (0.47) ADRB2CHRM3
SCHEMBL19782027 0.88 ADRB2 (0.72) ADRB2CHRM3
SCHEMBL19782031 0.88 ADRB2 (0.72) ADRB2CHRM3
SCHEMBL19782282 0.88 ADRB2 (0.72) 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-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP claimed
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