SCHEMBL4696896

SCHEMBL4696896

COC(=O)COc1nc(C)c(C(=O)N2CC3CN(CCC(NC(=O)C4CCCC4)c4ccccc4)CC3C2)c(C)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.75
CCL5 P13501 1/20 0.52

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
SCHEMBL4696894 1.00 CCR5 (0.75) CCR5CCL5
SCHEMBL3289096 0.94 CCR5 (0.77) CCR5CCL5
SCHEMBL3289105 0.94 CCR5 (0.77) CCR5CCL5
SCHEMBL4697107 0.92 CCR5 (0.70) CCR5CCL5
SCHEMBL4697106 0.92 CCR5 (0.70) CCR5CCL5
SCHEMBL4699750 0.89 CCR5 (0.73) CCR5
SCHEMBL4699749 0.89 CCR5 (0.73) CCR5
SCHEMBL4697083 0.87 CCR5 (0.71) CCR5
SCHEMBL4697079 0.87 CCR5 (0.71) CCR5
SCHEMBL4697080 0.87 CCR5 (0.71) CCR5

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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed