SCHEMBL4592889

SCHEMBL4592889

COC(C(=O)Nc1ccc(N2CCOCC2=O)cc1)[C@H]1[CH]CN(C(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.49
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL5625331 0.73 F10 (0.59) F10PTGS2
SCHEMBL5624965 0.73 F10 (0.59) F10PTGS2
SCHEMBL5624693 0.72 F10 (0.59) F10PTGS2
SCHEMBL5628511 0.72 F10 (0.59) F10PTGS2
SCHEMBL118728 0.72 F10 (0.58) F10PTGS2
SCHEMBL28407706 0.72 F10 (0.59) F10PTGS2
SCHEMBL28046642 0.72 F10 (0.56) F10PTGS2
SCHEMBL5625734 0.72 F10 (0.53) F10PTGS2
SCHEMBL28046585 0.72 F10 (0.56) F10PTGS2
SCHEMBL5625496 0.72 F10 (0.53) F10PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 — — EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
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