SCHEMBL4592581

SCHEMBL4592581

O=C(NC[C@@H]1CN(C(=O)O)C[C@H]1C(F)(F)F)c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.48
▸ F2 P00734 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4592511 1.00 F10 (0.48) F10F2HDAC3HDAC4HDAC1
SCHEMBL4592458 0.85 F10 (0.51) F10F2
SCHEMBL4592531 0.85 F10 (0.51) F10F2
SCHEMBL4593159 0.82 F10 (0.48) F10F2
SCHEMBL4592524 0.82 F10 (0.48) F10F2
SCHEMBL4592493 0.82 F10 (0.48) F10F2
SCHEMBL4591552 0.81 F10 (0.57) F10F2
SCHEMBL4592555 0.81 F10 (0.57) F10F2
SCHEMBL4591661 0.77 F10 (0.47) F10F2
SCHEMBL4591658 0.77 F10 (0.46) F10F2

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 4 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 claimed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO claimed
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
Send feedback