SCHEMBL4694979

SCHEMBL4694979

Cc1ccc(C(=O)NC(CCN2CC3CN(C(=O)c4c(F)cccc4Cl)C[C@@H]3C2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69

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
SCHEMBL4691275 1.00 CCR5 (0.69) CCR5
SCHEMBL4690856 0.94 CCR5 (0.72) CCR5
SCHEMBL4690855 0.94 CCR5 (0.72) CCR5
SCHEMBL4694762 0.93 CCR5 (0.66) CCR5
SCHEMBL4694226 0.93 CCR5 (0.66) CCR5
SCHEMBL4691944 0.93 CCR5 (0.66) CCR5
SCHEMBL4691943 0.93 CCR5 (0.66) CCR5
SCHEMBL4693003 0.93 CCR5 (0.66) CCR5
SCHEMBL4693761 0.92 CCR5 (0.64) CCR5
SCHEMBL4694533 0.92 CCR5 (0.64) 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 3 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