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SCHEMBL4696155

SCHEMBL4696155

CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(C(=O)c4cccc5c4CCN(C(=O)O)C5)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.53
▸ KCNH2 Q12809 1/20 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
SCHEMBL5424949 0.96 KCNH2 (0.54) CCR5KCNH2
SCHEMBL4696567 0.95 CCR5 (0.54) CCR5KCNH2
SCHEMBL4694492 0.91 KCNH2 (0.49) CCR5KCNH2
SCHEMBL4695096 0.88 KCNH2 (0.45) CCR5KCNH2
SCHEMBL4695875 0.87 KCNH2 (0.47) CCR5KCNH2
SCHEMBL4693963 0.86 KCNH2 (0.49) CCR5KCNH2
SCHEMBL4694786 0.85 CCR5 (0.67) CCR5KCNH2
SCHEMBL5435609 0.84 KCNH2 (0.58) CCR5KCNH2
SCHEMBL4695002 0.83 KCNH2 (0.48) CCR5KCNH2
SCHEMBL5428452 0.83 KCNH2 (0.62) 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 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