SCHEMBL9216059

SCHEMBL9216059

NC(=O)N(O)C1CCc2cc(OCc3ccc(F)c(F)c3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
FFAR1 O14842 1/20 0.42
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL9215988 0.89 MAOB (0.46) MAOAMAOBPARP10
SCHEMBL9213857 0.85 SCN3A (0.51) SCN3A
SCHEMBL9488175 0.85 PPARD (0.47) MAOBFFAR1
SCHEMBL9215265 0.85 LIPG (0.49) FFAR1
SCHEMBL9597496 0.85 ALOX5 (0.42)
SCHEMBL9216295 0.84 PPARD (0.49) MAOAMAOB
SCHEMBL9215229 0.84 SCN3A (0.53) SCN3A
SCHEMBL9223074 0.83 SCN3A (0.64) SCN3AMAOBPARP15PARP10
SCHEMBL9216479 0.83 MAOB (0.54) MAOBFFAR1
SCHEMBL9216200 0.82 PPARD (0.45) MAOB

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
WO-1995002575-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed