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SCHEMBL4690228

SCHEMBL4690228

CCOc1nc(N(C)C)ccc1C(=O)N1CC2CN(CCCN(C(=O)OC3CCN(C(C)=O)CC3)c3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ CCR5 P51681 19/20 0.43

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
SCHEMBL4692404 0.91 KCNH2 (0.46) KCNH2CCR5
SCHEMBL4692264 0.86 CCR5 (0.48) KCNH2CCR5
SCHEMBL4694890 0.85 KCNH2 (0.46) KCNH2CCR5
SCHEMBL4693417 0.84 KCNH2 (0.44) KCNH2CCR5
SCHEMBL4695535 0.84 CCR5 (0.50) KCNH2CCR5
SCHEMBL4691183 0.84 KCNH2 (0.49) KCNH2CCR5
SCHEMBL4751427 0.84 CCR5 (0.50) KCNH2CCR5
SCHEMBL4697031 0.84 KCNH2 (0.46) KCNH2CCR5
SCHEMBL4694886 0.84 CCR5 (0.47) KCNH2CCR5
SCHEMBL4695449 0.84 CCR5 (0.49) 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