SCHEMBL5229995

SCHEMBL5229995

Cc1ccnc(C)c1C(=O)N1CC2CN(CC(C)C(NC(=O)C3CC3)c3ccccc3)C[C@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69

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
SCHEMBL13326783 1.00 CCR5 (0.69) CCR5
SCHEMBL5424894 1.00 CCR5 (0.69) CCR5
SCHEMBL5234390 0.97 CCR5 (0.75) CCR5
Cyclopentane SCHEMBL4692900 0.90 CCR5 (0.62) CCR5
SCHEMBL4692011 0.85 CCR5 (0.55) CCR5
SCHEMBL4692014 0.85 CCR5 (0.55) CCR5
SCHEMBL4692018 0.85 CCR5 (0.55) CCR5
SCHEMBL3282926 0.85 CCR5 (0.60) CCR5
SCHEMBL4692083 0.85 CCR5 (0.60) CCR5
SCHEMBL13326784 0.85 CCR5 (0.60) 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