SCHEMBL4695860

SCHEMBL4695860

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cccc(Cl)c4F)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
CCR5 P51681 19/20 0.52

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
SCHEMBL4694195 0.96 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4692674 0.93 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4745210 0.93 CCR5 (0.53) KCNH2CCR5
SCHEMBL4697115 0.93 KCNH2 (0.48) KCNH2CCR5
SCHEMBL4694514 0.93 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4694759 0.93 KCNH2 (0.52) KCNH2CCR5
SCHEMBL4694712 0.92 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4691753 0.92 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4696713 0.92 KCNH2 (0.49) KCNH2CCR5
SCHEMBL4695092 0.92 CCR5 (0.51) KCNH2CCR5

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 1 patent. 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