SCHEMBL4691598

SCHEMBL4691598

CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(S(=O)(=O)c4ccccc4C(=O)O)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.62
KCNH2 Q12809 1/20 0.58

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
SCHEMBL4695134 0.92 CCR5 (0.58) CCR5KCNH2
SCHEMBL13326757 0.88 CCR5 (0.58) CCR5KCNH2
SCHEMBL14440813 0.86 CCR5 (0.77) CCR5KCNH2
SCHEMBL4694786 0.85 CCR5 (0.67) CCR5KCNH2
SCHEMBL5422153 0.85 KCNH2 (0.67) CCR5KCNH2
SCHEMBL4694591 0.85 CCR5 (0.65) CCR5KCNH2
SCHEMBL4696847 0.84 CCR5 (0.64) CCR5KCNH2
SCHEMBL14440814 0.84 CCR5 (0.54) CCR5KCNH2
SCHEMBL14440782 0.84 CCR5 (0.54) CCR5KCNH2
SCHEMBL4690468 0.83 CCR5 (0.63) CCR5KCNH2

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