SCHEMBL5237692

SCHEMBL5237692

CSc1nc(C)c(C(=O)N2CC3CN(CCC(NC(=O)C4CCOC4)c4ccccc4)C[C@H]3C2)c(C)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.75

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
SCHEMBL4691090 0.87 CCR5 (0.57) CCR5
SCHEMBL13326689 0.87 CCR5 (0.72) CCR5
SCHEMBL14591184 0.87 CCR5 (0.72) CCR5
SCHEMBL5236896 0.87 CCR5 (0.72) CCR5
SCHEMBL5415712 0.87 CCR5 (0.72) CCR5
SCHEMBL13326717 0.86 CCR5 (1.00) CCR5
SCHEMBL5420385 0.86 CCR5 (1.00) CCR5
SCHEMBL5238556 0.85 CCR5 (0.82) CCR5
SCHEMBL5236262 0.84 CCR5 (0.83) CCR5
SCHEMBL5318070 0.83 CCR5 (0.90) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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