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SCHEMBL4693417

SCHEMBL4693417

CSc1ncc(C(=O)N2CC3CN(CCCN(C(=O)OC4CCN(C(C)=O)CC4)c4ccc(C)c(Cl)c4)CC3C2)c(N(C)C)n1

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
SCHEMBL4692458 0.93 KCNH2 (0.45) KCNH2CCR5
SCHEMBL4692404 0.89 KCNH2 (0.46) KCNH2CCR5
SCHEMBL4695696 0.89 KCNH2 (0.45) KCNH2CCR5
SCHEMBL4694886 0.87 CCR5 (0.47) KCNH2CCR5
SCHEMBL4695034 0.85 KCNH2 (0.48) KCNH2CCR5
SCHEMBL4690228 0.84 KCNH2 (0.44) KCNH2CCR5
SCHEMBL4694853 0.84 KCNH2 (0.46) KCNH2CCR5
SCHEMBL4695149 0.84 KCNH2 (0.48) KCNH2CCR5
SCHEMBL4695449 0.84 CCR5 (0.49) KCNH2CCR5
SCHEMBL4692364 0.84 KCNH2 (0.48) 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