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SCHEMBL4695469

SCHEMBL4695469

CC(=O)N1CCC(C(=O)N(CCCN2CC3CN(C(=O)c4c(C)nn(-c5cccc(C(=O)O)c5)c4C)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.56
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL3283072 0.93 CCR5 (0.50) CCR5KCNH2
SCHEMBL13326699 0.93 CCR5 (0.50) CCR5KCNH2
SCHEMBL4695267 0.88 CCR5 (0.65) CCR5KCNH2
SCHEMBL4698801 0.85 CCR5 (0.55) CCR5KCNH2
SCHEMBL14440799 0.85 CCR5 (0.57) CCR5KCNH2
SCHEMBL4694026 0.85 CCR5 (0.47) CCR5KCNH2
SCHEMBL5428452 0.84 KCNH2 (0.62) CCR5KCNH2
SCHEMBL4694591 0.84 CCR5 (0.65) CCR5KCNH2
SCHEMBL13326681 0.84 KCNH2 (0.62) CCR5KCNH2
SCHEMBL4692380 0.84 CCR5 (0.73) 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