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SCHEMBL4696971

SCHEMBL4696971

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)cccc4C)CC3C2)C(=O)OC2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL4694448 0.92 CCR5 (0.49) CCR5KCNH2
SCHEMBL4691462 0.90 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4695419 0.89 KCNH2 (0.42) CCR5KCNH2
SCHEMBL5232684 0.89 CCR5 (0.50) CCR5KCNH2
SCHEMBL4695522 0.89 KCNH2 (0.44) CCR5KCNH2
SCHEMBL4692817 0.87 CCR5 (0.44) CCR5KCNH2
SCHEMBL4695636 0.87 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4694049 0.87 CCL5 (0.44) CCR5KCNH2
SCHEMBL4690119 0.84 CCL5 (0.42) CCR5
SCHEMBL4692545 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