SCHEMBL22839980

SCHEMBL22839980

O=C(OCC1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1cccc(-c2cc(C(=O)N3CCC(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)CC3)ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.56
▸ CHRM3 P20309 20/20 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
SCHEMBL22839978 0.92 ADRB2 (0.54) ADRB2CHRM3
SCHEMBL18812609 0.89 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22839973 0.89 ADRB2 (0.53) ADRB2CHRM3
SCHEMBL20684437 0.88 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19782024 0.88 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19770202 0.88 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL18557640 0.87 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL24404429 0.83 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL22839872 0.83 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19784600 0.83 ADRB2 (0.40) 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 disclosed
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