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Sugi Predict / Compounds / SCHEMBL22839832

SCHEMBL22839832

SCHEMBL22839832

C/C=C\c1c(C(O)CNCCc2ccc(C(=O)NCC(=O)N3CC=C(c4cccc(C(C(=O)OCC5CCN(Cc6ccccc6)CC5)c5ccccc5)c4)CC3)cc2)ccc(O)c1NC=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.40
▸ CHRM3 P20309 13/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL22839907 0.84 ADRB2 (0.45) ADRB2CHRM3
SCHEMBL22839873 0.82 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL22839981 0.81 ADRB2 (0.46) ADRB2CHRM3
SCHEMBL22839830 0.77 TDP1 (0.40) ADRB2TDP1
SCHEMBL22839865 0.76 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22839871 0.76 ADRB2 (0.46) ADRB2CHRM3
SCHEMBL20684423 0.75 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19782501 0.75 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19782495 0.75 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL22839809 0.75 BCHE (0.44) CHRM3TDP1

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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