SCHEMBL4691913

SCHEMBL4691913

COc1ccc(CC(=O)N[C@@H](CCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.68

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
SCHEMBL4691912 1.00 CCR5 (0.68) CCR5
SCHEMBL4690188 0.91 CCR5 (0.69) CCR5
SCHEMBL4690196 0.91 CCR5 (0.69) CCR5
SCHEMBL4690746 0.87 CCR5 (0.77) CCR5
SCHEMBL4690749 0.87 CCR5 (0.77) CCR5
SCHEMBL4696054 0.86 CCR5 (0.68) CCR5
Cyclopropane SCHEMBL4694561 0.86 CCR5 (0.83) CCR5
Cyclohexane SCHEMBL4691358 0.86 CCR5 (0.83) CCR5
SCHEMBL4692048 0.86 CCR5 (0.83) CCR5
SCHEMBL4694345 0.85 CCR5 (0.74) 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