SCHEMBL4691389

SCHEMBL4691389

CCOc1nc(C)c(C(=O)N2CC3CN(CC[C@H](N)c4ccccc4)CC3C2)c(C)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 17/20 0.54
CCR5 P51681 11/20 0.54

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
SCHEMBL5663020 0.91 CCL5 (0.51) CCL5CCR5
SCHEMBL5661046 0.90 CCL5 (0.53) CCL5CCR5
SCHEMBL13326741 0.89 CCL5 (0.55) CCL5CCR5
SCHEMBL14591197 0.89 CCL5 (0.55) CCL5CCR5
SCHEMBL5662261 0.88 CCL5 (0.50) CCL5CCR5
SCHEMBL4691442 0.88 CCL5 (0.56) CCL5CCR5
SCHEMBL13359853 0.86 CCL5 (0.54) CCL5CCR5
SCHEMBL3282169 0.86 CCL5 (0.69) CCL5CCR5
SCHEMBL3290294 0.86 CCL5 (0.69) CCL5CCR5
SCHEMBL5524903 0.85 CCL5 (0.48) CCL5CCR5

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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP 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