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SCHEMBL4694819

SCHEMBL4694819

COc1cc(C)c(C(=O)N2CC3CN(CCCN(C(=O)OC4CCN(C(C)=O)CC4)c4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ CCR5 P51681 19/20 0.48

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
SCHEMBL4694173 0.94 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4692545 0.93 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4691462 0.92 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4691486 0.91 CCR5 (0.48) KCNH2CCR5
SCHEMBL4691254 0.91 KCNH2 (0.49) KCNH2CCR5
SCHEMBL4692408 0.91 CCR5 (0.52) KCNH2CCR5
SCHEMBL4696701 0.90 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4695316 0.89 CCR5 (0.48) KCNH2CCR5
SCHEMBL4695636 0.89 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4691362 0.88 KCNH2 (0.47) 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