SCHEMBL4691599

SCHEMBL4691599

CCCCOc1cc(C)c(C(=O)N2CC3CN(CC[C@H](N)c4ccccc4)CC3C2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.53
CCL5 P13501 10/20 0.46

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
SCHEMBL4693792 0.92 CCR5 (0.56) CCR5CCL5
SCHEMBL4690568 0.88 CCR5 (0.67) CCR5CCL5
Cyclopentane SCHEMBL4692468 0.86 CCR5 (0.67) CCR5
SCHEMBL4696493 0.85 CCR5 (0.59) CCR5CCL5
SCHEMBL4693717 0.83 CCR5 (0.66) CCR5CCL5
SCHEMBL3285413 0.83 CCR5 (0.70) CCR5CCL5
SCHEMBL3290682 0.83 CCR5 (0.70) CCR5CCL5
SCHEMBL4692349 0.81 CCR5 (0.54) CCR5CCL5
SCHEMBL4755252 0.81 CCR5 (0.52) CCR5CCL5
SCHEMBL4692881 0.80 CCR5 (0.53) CCR5CCL5

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