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Sugi Predict / Compounds / SCHEMBL4691774

SCHEMBL4691774

SCHEMBL4691774

CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CC3CN(CCCN(C(=O)C4CCN(C(C)=O)CC4)c4ccc(C)c(Cl)c4)CC3C2)c1C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.54
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL4693522 0.92 CCR5 (0.60) CCR5KCNH2
SCHEMBL4694558 0.89 CCR5 (0.52) CCR5KCNH2
SCHEMBL4691413 0.89 CCR5 (0.54) CCR5KCNH2
SCHEMBL4694072 0.87 CCR5 (0.57) CCR5KCNH2
SCHEMBL4696389 0.80 CCR5 (0.56) CCR5KCNH2
SCHEMBL4695589 0.80 CCR5 (0.60) CCR5KCNH2
SCHEMBL4696847 0.80 CCR5 (0.64) CCR5KCNH2
SCHEMBL4689802 0.80 KCNH2 (0.55) CCR5KCNH2
SCHEMBL4691505 0.80 CCR5 (0.55) CCR5KCNH2
SCHEMBL4694357 0.80 CCR5 (0.52) CCR5KCNH2

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