SCHEMBL4692456

SCHEMBL4692456

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cc(F)c(F)cc4F)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CCR5 P51681 19/20 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
SCHEMBL4691225 0.95 KCNH2 (0.52) KCNH2CCR5
SCHEMBL4695608 0.93 KCNH2 (0.54) KCNH2CCR5
SCHEMBL4695259 0.93 KCNH2 (0.54) KCNH2CCR5
SCHEMBL4694218 0.93 KCNH2 (0.52) KCNH2CCR5
SCHEMBL4691698 0.93 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4694060 0.93 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4694759 0.92 KCNH2 (0.52) KCNH2CCR5
SCHEMBL4691327 0.92 KCNH2 (0.55) KCNH2CCR5
SCHEMBL4694712 0.91 KCNH2 (0.51) KCNH2CCR5
SCHEMBL4691457 0.91 KCNH2 (0.54) 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