SCHEMBL4691440

SCHEMBL4691440

Cc1nc(C)c(C(=O)N2CC3CN(CC[CH]c4ccccc4)C[C@H]3C2)c(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.41
CCL5 P13501 12/20 0.41

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
SCHEMBL4695015 0.90 CCR5 (0.40) CCR5CCL5
SCHEMBL4694907 0.90 CCL5 (0.43) CCR5CCL5
SCHEMBL4694360 0.89 CCL5 (0.39) CCR5CCL5
SCHEMBL4698176 0.89 CCR5 (0.40) CCR5CCL5
SCHEMBL4691385 0.87 HCRTR1 (0.41) CCR5CCL5
SCHEMBL4696688 0.87 CCL5 (0.40) CCR5CCL5
SCHEMBL3283391 0.87 CCR5 (0.39) CCR5CCL5
SCHEMBL4690387 0.87 CCR5 (0.38) CCR5CCL5
SCHEMBL4695141 0.87 CCR5 (0.39) CCR5CCL5
SCHEMBL4696220 0.87 CCL5 (0.41) CCR5CCL5

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