SCHEMBL4697296

SCHEMBL4697296

O=C(NC(CCN1CC2CN(C(=O)C3CCCC3)C[C@@H]2C1)c1ccccc1)C1CCOC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72
CCL5 P13501 1/20 0.47

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
SCHEMBL4689746 0.90 CCR5 (0.77) CCR5
SCHEMBL5231134 0.86 CCR5 (0.73) CCR5
SCHEMBL4695094 0.86 CCR5 (0.71) CCR5
SCHEMBL4694691 0.85 CCR5 (0.56) CCR5CCL5
SCHEMBL4693263 0.85 CCR5 (0.75) CCR5
SCHEMBL4691096 0.85 CCR5 (0.55) CCR5CCL5
SCHEMBL4694312 0.85 CCR5 (0.69) CCR5
SCHEMBL5237220 0.84 CCR5 (0.69) CCR5
SCHEMBL5420385 0.84 CCR5 (1.00) CCR5
SCHEMBL5237857 0.84 CCR5 (0.84) CCR5

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 3 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