SCHEMBL4690663

SCHEMBL4690663

CC(=O)N(CCCN1CC2CN(C(=O)c3c(C)ccnc3C)CC2C1)c1ccc(C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.48
KCNH2 Q12809 1/20 0.43

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
Cyclohexane SCHEMBL4695443 0.92 CCR5 (0.48) CCR5KCNH2
Cyclopentane SCHEMBL4696746 0.92 CCR5 (0.48) CCR5KCNH2
Cyclopropane SCHEMBL4691469 0.92 CCR5 (0.48) CCR5KCNH2
SCHEMBL4691909 0.92 CCR5 (0.48) CCR5KCNH2
SCHEMBL4695858 0.92 CCR5 (0.46) CCR5KCNH2
SCHEMBL4695032 0.92 CCR5 (0.45) CCR5KCNH2
SCHEMBL4694613 0.91 CCR5 (0.49) CCR5KCNH2
SCHEMBL4691897 0.91 CCR5 (0.46) CCR5KCNH2
SCHEMBL4693303 0.90 CCR5 (0.43) CCR5KCNH2
SCHEMBL5424497 0.90 KCNH2 (0.58) 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 4 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-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO 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