SCHEMBL5229656

SCHEMBL5229656

Cc1sc(C)c(C(=O)N2CC3CN([C@@H](CC(N)=O)c4ccccc4)CC3C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.40
CCL5 P13501 9/20 0.37

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
SCHEMBL5232470 0.85 CCR5 (0.54) CCR5CCL5
SCHEMBL4695956 0.84 HCRTR1 (0.37) CCR5
SCHEMBL5237860 0.82 CCL5 (0.43) CCR5CCL5
SCHEMBL5234982 0.79 CCR5 (0.42) CCR5CCL5
SCHEMBL4697511 0.78 ALDH1A1 (0.41) CCR5
SCHEMBL4690328 0.78 CCR5 (0.52) CCR5CCL5
SCHEMBL5237872 0.78 CCL5 (0.40) CCL5
SCHEMBL5233029 0.78 CCR5 (0.44) CCR5
SCHEMBL5240008 0.78 ALDH1A1 (0.48) CCR5
SCHEMBL5235577 0.77 CCL5 (0.38) 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 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