SCHEMBL4691630

SCHEMBL4691630

Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)CC3CCCCC3)c3ccccc3)C[C@H]2C1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.82
CCL5 P13501 6/20 0.61

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
SCHEMBL4691632 1.00 CCR5 (0.82) CCR5CCL5
SCHEMBL4693762 0.99 CCR5 (0.83) CCR5CCL5
SCHEMBL4693760 0.99 CCR5 (0.83) CCR5CCL5
SCHEMBL4692522 0.91 CCR5 (0.78) CCR5
SCHEMBL3283230 0.91 CCR5 (0.78) CCR5
SCHEMBL4692520 0.91 CCR5 (0.78) CCR5
Cyclopentane SCHEMBL4696157 0.90 CCR5 (0.82) CCR5CCL5
SCHEMBL4692466 0.90 CCR5 (0.82) CCR5CCL5
Cyclopropane SCHEMBL4695731 0.90 CCR5 (0.82) CCR5CCL5
SCHEMBL4695352 0.90 CCR5 (0.79) 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 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