SCHEMBL4694579

SCHEMBL4694579

CS(=O)(=O)CC(=O)N[C@@H](CCN1CC2=CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.44
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4695477 0.89 CCR5 (0.42) CCR5
SCHEMBL4690183 0.89 CCR5 (0.43) CCR5SIGMAR1
SCHEMBL4693112 0.89 CCR5 (0.45) CCR5SIGMAR1
SCHEMBL4695068 0.89 CCR5 (0.44) CCR5SIGMAR1
SCHEMBL4692079 0.89 CCR5 (0.44) CCR5SIGMAR1
SCHEMBL4690588 0.89 CCR5 (0.48) CCR5SIGMAR1
SCHEMBL4692327 0.89 CCR5 (0.49) CCR5SIGMAR1
SCHEMBL4691795 0.88 CCR5 (0.42) CCR5SIGMAR1
SCHEMBL4696419 0.88 CCR5 (0.42) CCR5SIGMAR1
SCHEMBL4689809 0.88 CCR5 (0.42) CCR5SIGMAR1

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