SCHEMBL22839890

SCHEMBL22839890

CNc1c(O)ccc(CCN(Cc2cc(F)c(C(=O)O)cc2OC)C(=O)OC(C)(C)C)c1/C=C\C=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ FABP4 P15090 1/20 0.31

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
SCHEMBL22839880 0.92 — —
SCHEMBL22839937 0.88 NAMPT (0.33) —
SCHEMBL22839884 0.88 HTT (0.35) —
SCHEMBL22839886 0.86 SSTR4 (0.30) —
SCHEMBL22839935 0.86 PPARG (0.36) PTGDR2
SCHEMBL22839893 0.86 SSTR4 (0.32) —
SCHEMBL22839795 0.86 — —
SCHEMBL22839951 0.83 NAMPT (0.31) —
SCHEMBL22839961 0.82 NAMPT (0.33) —
SCHEMBL22839942 0.81 EPHX2 (0.33) —

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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