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SCHEMBL4693963

SCHEMBL4693963

CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(C(=O)c4cccc5c4CN(C(=O)OC(C)(C)C)CC5)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ CCR5 P51681 19/20 0.49

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
SCHEMBL4694492 0.95 KCNH2 (0.49) KCNH2CCR5
SCHEMBL4696567 0.91 CCR5 (0.54) KCNH2CCR5
SCHEMBL4695002 0.91 KCNH2 (0.48) KCNH2CCR5
SCHEMBL5424949 0.88 KCNH2 (0.54) KCNH2CCR5
SCHEMBL4695875 0.88 KCNH2 (0.47) KCNH2CCR5
SCHEMBL4696155 0.86 CCR5 (0.53) KCNH2CCR5
SCHEMBL4696669 0.84 KCNH2 (0.49) KCNH2CCR5
SCHEMBL5435609 0.81 KCNH2 (0.58) KCNH2CCR5
SCHEMBL4691650 0.81 CCR5 (0.60) KCNH2CCR5
SCHEMBL5428452 0.80 KCNH2 (0.62) 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 2 patents. 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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed