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SCHEMBL4694376

SCHEMBL4694376

COC(=O)C(=O)N1CCC(C(=O)N(CCCN2CC3=CN(C(=O)c4c(C)ncnc4C)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.45
▸ 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
SCHEMBL4693874 0.97 CCR5 (0.43) CCR5KCNH2
SCHEMBL4691679 0.94 CCR5 (0.40) CCR5KCNH2
SCHEMBL4696273 0.93 CCR5 (0.46) CCR5KCNH2
SCHEMBL3283439 0.93 CCR5 (0.48) CCR5KCNH2
SCHEMBL4694548 0.91 CCR5 (0.44) CCR5KCNH2
SCHEMBL4695398 0.91 CCR5 (0.48) CCR5KCNH2
SCHEMBL5529635 0.90 CCR5 (0.42) CCR5KCNH2
SCHEMBL4693110 0.90 CCR5 (0.46) CCR5KCNH2
SCHEMBL4692779 0.89 CCR5 (0.41) CCR5KCNH2
SCHEMBL4696010 0.89 CCR5 (0.46) 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 disclosed