SCHEMBL4696276

SCHEMBL4696276

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4ccc(N(C)C)cc4)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.54
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4695127 0.95 CCR5 (0.54) CCR5KCNH2
SCHEMBL4696637 0.94 CCR5 (0.53) CCR5KCNH2
SCHEMBL4690984 0.93 CCR5 (0.48) CCR5KCNH2
SCHEMBL4696430 0.93 CCR5 (0.51) CCR5KCNH2
SCHEMBL4692408 0.92 CCR5 (0.52) CCR5KCNH2
SCHEMBL4694225 0.92 CCR5 (0.52) CCR5KCNH2
SCHEMBL4696216 0.91 CCR5 (0.53) CCR5KCNH2
SCHEMBL4691087 0.91 CCR5 (0.58) CCR5KCNH2
SCHEMBL4691543 0.89 CCR5 (0.49) CCR5KCNH2
SCHEMBL4694187 0.89 CCR5 (0.49) 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