SCHEMBL4694617

SCHEMBL4694617

CC(=O)N(CCCN1CC2=CN(C(=O)c3c(C)ncnc3C)CC2C1)c1ccc(C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.46
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4690669 0.92 CCR5 (0.45) CCR5KCNH2
SCHEMBL4693194 0.89 CCR5 (0.43) CCR5KCNH2
SCHEMBL4972758 0.89 CCR5 (0.44) CCR5KCNH2
SCHEMBL4691560 0.89 CCR5 (0.38) CCR5KCNH2
SCHEMBL4695161 0.89 CCR5 (0.42) CCR5KCNH2
SCHEMBL4695398 0.88 CCR5 (0.48) CCR5KCNH2
SCHEMBL4969916 0.88 CCR5 (0.36) CCR5KCNH2
SCHEMBL5529635 0.87 CCR5 (0.42) CCR5KCNH2
SCHEMBL4692779 0.87 CCR5 (0.41) CCR5KCNH2
SCHEMBL5531004 0.87 CCR5 (0.40) 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 2 patents. 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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed