SCHEMBL22839830

SCHEMBL22839830

CNc1c(O)ccc(C(O)CNCCc2ccc(C(=O)NCC(=O)N3CC=C(c4cccc(C(C)c5ccccc5)c4)CC3)cc2)c1/C=C\C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ USP5 P45974 1/20 0.34
▸ ADRB1 P08588 6/20 0.32
▸ ADRB2 P07550 5/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRB3 P13945 8/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ ADAM10 O14672 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32

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 0.78 ADRB2 (0.45) ADRB2DRD2
SCHEMBL22839832 0.77 ADRB2 (0.40) TDP1ADRB2
SCHEMBL22840003 0.76 ADRB2 (0.50) ADRB1ADRB2
SCHEMBL22839802 0.75 KDM4E (0.40) ADRB1ADRB2DRD2ADRA1DADRB3
SCHEMBL22839981 0.74 ADRB2 (0.46) ADRB2DRD2
SCHEMBL19784079 0.73 ADRB2 (0.54) ADRB1ADRB2DRD2ADRB3
SCHEMBL22829237 0.71 ADRB2 (0.57) ADRB1ADRB2ADRB3
SCHEMBL22829239 0.71 ADRB2 (0.57) ADRB1ADRB2ADRB3
SCHEMBL22839831 0.69 TDP1 (0.49) TDP1ADAM10MMP2MMP3MMP9
SCHEMBL22839848 0.68 ADRB2 (0.36) ADRB1ADRB2DRD2ADRA1D

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
Send feedback