SCHEMBL22839961

SCHEMBL22839961

CNc1c(O)ccc(CCN(Cc2ccc(C)c(OC)c2)C(=O)OC(C)(C)C)c1/C=C\C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.33
▸ HDAC3 O15379 4/20 0.32
▸ HDAC1 Q13547 4/20 0.32
▸ HDAC2 Q92769 3/20 0.32
▸ NCOR2 Q9Y618 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ XDH P47989 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ OR51E2 Q9H255 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL22839935 0.91 PPARG (0.36) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22839937 0.84 NAMPT (0.33) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22839884 0.84 HTT (0.35) XDHALOX5
SCHEMBL22839877 0.84 NAMPT (0.38) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22839824 0.83 HDAC1 (0.39) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22839942 0.82 EPHX2 (0.33) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839944 0.82 NAMPT (0.32) NAMPT
SCHEMBL22839890 0.82 PTGDR2 (0.31) —
SCHEMBL22839795 0.81 — —
SCHEMBL22839951 0.79 NAMPT (0.31) NAMPT

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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