SCHEMBL22839967

SCHEMBL22839967

CNc1c(O)ccc([C@@H](O)CNCc2cccc(C(=O)NCc3ccc(-c4cccc(C(C=O)c5ccccc5)c4)s3)c2)c1/C=C\C=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.40
▸ CHRM3 P20309 5/20 0.40
▸ ERN1 O75460 1/20 0.34
▸ SCN9A Q15858 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ SLC16A3 O15427 1/20 0.31
▸ BCHE P06276 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SELL P14151 1/20 0.31
▸ SELP P16109 1/20 0.31
▸ SELE P16581 1/20 0.31
▸ ADRB3 P13945 1/20 0.30

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
SCHEMBL22839802 0.74 KDM4E (0.40) ADRB2CHRM3ERN1SLC16A3MEN1
SCHEMBL22839991 0.74 ADRB2 (0.52) ADRB2CHRM3
SCHEMBL22839848 0.72 ADRB2 (0.36) ADRB2CHRM3
SCHEMBL22839918 0.71 ADRB2 (0.47) ADRB2CHRM3
SCHEMBL22839971 0.69 ADRB2 (0.49) ADRB2CHRM3MEN1KMT2A
SCHEMBL22839800 0.69 ADRB2 (0.49) ADRB2CHRM3MEN1KMT2A
SCHEMBL22829099 0.68 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL22829100 0.68 ADRB2 (0.68) ADRB2CHRM3
SCHEMBL19903846 0.66 ADRB2 (0.36) ADRB2SLC16A3MEN1LMNAKMT2A
SCHEMBL19784572 0.65 ADRB2 (0.74) 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
Send feedback