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SCHEMBL4691829

SCHEMBL4691829

COc1ccc(-n2ncc(C(=O)N3CC4CN(CCCN(C(=O)OC5CCN(C(C)=O)CC5)c5ccc(C)c(Cl)c5)CC4C3)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ CCR5 P51681 19/20 0.42

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
SCHEMBL4693529 0.94 KCNH2 (0.44) KCNH2CCR5
SCHEMBL4695523 0.94 KCNH2 (0.48) KCNH2CCR5
SCHEMBL4696690 0.94 KCNH2 (0.44) KCNH2CCR5
SCHEMBL4691209 0.94 KCNH2 (0.44) KCNH2CCR5
SCHEMBL4695547 0.91 CCR5 (0.42) KCNH2CCR5
SCHEMBL4696827 0.90 KCNH2 (0.42) KCNH2CCR5
SCHEMBL4692393 0.86 CCR5 (0.46) KCNH2CCR5
SCHEMBL4694102 0.86 KCNH2 (0.49) KCNH2CCR5
SCHEMBL4694059 0.85 CCR5 (0.46) KCNH2CCR5
SCHEMBL4693494 0.85 CCR5 (0.45) 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