SCHEMBL4691867

SCHEMBL4691867

COc1ccc(C(=O)N[C@@H](CCN2CC3CN(C(=O)c4c(F)cccc4Cl)CC3C2)c2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.58
ACHE P22303 1/20 0.47

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
SCHEMBL4691320 1.00 CCR5 (0.58) CCR5ACHE
SCHEMBL4692355 0.90 CCR5 (0.61) CCR5
SCHEMBL4692354 0.90 CCR5 (0.61) CCR5
SCHEMBL4691376 0.90 CCR5 (0.63) CCR5
SCHEMBL4691342 0.90 CCR5 (0.63) CCR5
SCHEMBL4693761 0.89 CCR5 (0.64) CCR5
SCHEMBL4693759 0.89 CCR5 (0.64) CCR5
SCHEMBL4750952 0.89 CCR5 (0.62) CCR5
SCHEMBL4692153 0.89 CCR5 (0.62) CCR5
SCHEMBL4694052 0.89 CCR5 (0.62) 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