SCHEMBL4694609

SCHEMBL4694609

Cc1ccc(NCCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.50
CCL5 P13501 13/20 0.50

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
SCHEMBL4972705 0.92 CCL5 (0.57) CCR5CCL5
SCHEMBL4691694 0.89 CCR5 (0.52) CCR5CCL5
SCHEMBL4970943 0.86 CCR5 (0.47) CCR5CCL5
SCHEMBL3283596 0.86 CCL5 (0.49) CCR5CCL5
SCHEMBL4694606 0.85 CCR5 (0.49) CCR5CCL5
SCHEMBL4695359 0.85 CCR5 (0.58) CCR5CCL5
SCHEMBL14447202 0.85 CCL5 (0.47) CCR5CCL5
Trifluoroacetic Acid SCHEMBL5534993 0.82 CCL5 (0.50) CCR5CCL5
SCHEMBL4694005 0.81 CCR5 (0.59) CCR5CCL5
SCHEMBL4972691 0.79 CCL5 (0.55) CCR5CCL5

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