SCHEMBL4693380

SCHEMBL4693380

O=C(NC(CCN1C=C2CN(C(=O)OCc3ccccc3)CC2C1)c1ccccc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL4693379 0.81 CCR5 (0.72) CCR5
SCHEMBL4689752 0.77 CCR5 (0.53) CCR5
SCHEMBL14514118 0.73 CCR5 (0.61) CCR5
SCHEMBL5634859 0.73 CCR5 (0.61) CCR5
SCHEMBL4695728 0.72 CCR5 (0.64) CCR5
SCHEMBL24003876 0.69 RECQL (0.62) CCR5
SCHEMBL13359857 0.69 CCR5 (0.75) CCR5
SCHEMBL13326659 0.69 CCR5 (0.75) CCR5
SCHEMBL14223574 0.69 RECQL (0.56) L3MBTL1
SCHEMBL24832472 0.68 L3MBTL1 (0.53) L3MBTL1

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