SCHEMBL4600328

SCHEMBL4600328

CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(Cl)s2)C(C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.48
F2 P00734 2/20 0.47
F11 P03951 2/20 0.47
USP30 Q70CQ3 3/20 0.46
ACKR3 P25106 1/20 0.38

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
SCHEMBL3449279 1.00 F10 (0.48) F10F2F11USP30ACKR3
SCHEMBL3448718 0.87 F10 (0.50) F10F2F11USP30
SCHEMBL3447354 0.86 F10 (0.49) F10F2F11USP30ACKR3
SCHEMBL3447348 0.86 F10 (0.49) F10F2F11USP30ACKR3
SCHEMBL3447350 0.86 F10 (0.49) F10F2F11USP30ACKR3
SCHEMBL3448759 0.85 F10 (0.51) F10F2F11USP30
SCHEMBL3448170 0.83 F10 (0.49) F10F2F11USP30
SCHEMBL3448172 0.83 F10 (0.49) F10F2F11USP30
SCHEMBL3448174 0.83 F10 (0.49) F10F2F11USP30
SCHEMBL3447270 0.82 F10 (0.51) F10F2F11USP30ACKR3

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