SCHEMBL5236262

SCHEMBL5236262

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCOC3)c3ccccc3)C[C@H]2C1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.83
CCL5 P13501 1/20 0.59

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
SCHEMBL5236045 0.91 CCR5 (0.96) CCR5CCL5
SCHEMBL5418329 0.91 CCR5 (1.00) CCR5CCL5
SCHEMBL5233184 0.91 CCR5 (1.00) CCR5CCL5
SCHEMBL13326706 0.91 CCR5 (1.00) CCR5CCL5
SCHEMBL5238556 0.86 CCR5 (0.82) CCR5
SCHEMBL5230276 0.86 CCR5 (0.87) CCR5CCL5
SCHEMBL4692466 0.85 CCR5 (0.82) CCR5CCL5
Cyclopropane SCHEMBL4695731 0.85 CCR5 (0.82) CCR5CCL5
Cyclopentane SCHEMBL4696157 0.85 CCR5 (0.82) CCR5CCL5
SCHEMBL5237692 0.84 CCR5 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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