SCHEMBL4696501

SCHEMBL4696501

Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)OC(C)(C)C)c3cccnc3)C[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.61

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
SCHEMBL4696505 1.00 CCR5 (0.61) CCR5
SCHEMBL4694960 0.89 CCR5 (0.72) CCR5
SCHEMBL4694961 0.89 CCR5 (0.72) CCR5
Cyclopentane SCHEMBL4696541 0.88 CCR5 (0.69) CCR5
SCHEMBL4694720 0.85 CCR5 (0.61) CCR5
SCHEMBL4694717 0.85 CCR5 (0.61) CCR5
SCHEMBL14591183 0.83 CCR5 (0.72) CCR5
SCHEMBL4696508 0.83 CCR5 (0.41) CCR5
SCHEMBL14591182 0.80 CCR5 (0.72) CCR5
SCHEMBL4972549 0.80 CCR5 (0.71) 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 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