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Sugi Predict / Compounds / SCHEMBL4694734

SCHEMBL4694734

SCHEMBL4694734

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cc(C)nn4-c4ccc(C)cc4)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.46
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL4693511 0.94 CCR5 (0.44) CCR5KCNH2
SCHEMBL4696691 0.88 KCNH2 (0.47) CCR5KCNH2
SCHEMBL4692393 0.87 CCR5 (0.46) CCR5KCNH2
SCHEMBL4693494 0.86 CCR5 (0.45) CCR5KCNH2
SCHEMBL4694518 0.85 KCNH2 (0.49) CCR5KCNH2
SCHEMBL4691079 0.85 KCNH2 (0.50) CCR5KCNH2
SCHEMBL4696690 0.84 KCNH2 (0.44) CCR5KCNH2
SCHEMBL4695535 0.84 CCR5 (0.50) CCR5KCNH2
SCHEMBL4694026 0.84 CCR5 (0.47) CCR5KCNH2
SCHEMBL4696701 0.84 KCNH2 (0.51) 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