SCHEMBL5238554

SCHEMBL5238554

COc1cc(Cl)ccc1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)C[C@H]2C1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.68

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
Cyclopentane SCHEMBL4693308 0.91 CCR5 (0.56) CCR5
SCHEMBL4695959 0.82 HCRTR2 (0.53) CCR5
SCHEMBL14011101 0.82 CCR5 (0.82) CCR5
SCHEMBL5233209 0.80 CCR5 (0.84) CCR5
SCHEMBL5230131 0.79 CCR5 (0.71) CCR5
SCHEMBL4697349 0.79 CCR5 (0.84) CCR5
Cyclopentane SCHEMBL4751177 0.79 CCR5 (0.55) CCR5
SCHEMBL5231449 0.79 CCR5 (1.00) CCR5
SCHEMBL5236911 0.78 CCR5 (0.86) CCR5
SCHEMBL5230268 0.78 CCR5 (0.80) 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