SCHEMBL4696561

SCHEMBL4696561

O=C(NC(CCN1CC2CN(C(=O)c3cnc4ccccc4c3)C[C@@H]2C1)c1ccccc1)OC1CCOC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.49
ATXN2 Q99700 1/20 0.40

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
SCHEMBL4691477 0.91 CCR5 (0.48) CCR5ATXN2
SCHEMBL4694147 0.88 CCR5 (0.51) CCR5
SCHEMBL4696272 0.87 CCR5 (0.58) CCR5
SCHEMBL4694057 0.85 CCR5 (0.51) CCR5
SCHEMBL4694739 0.84 CCR5 (0.58) CCR5
SCHEMBL4695834 0.83 CCR5 (0.59) CCR5
SCHEMBL4690849 0.83 CCR5 (0.54) CCR5
SCHEMBL4693521 0.83 CCR5 (0.58) CCR5
SCHEMBL4692181 0.83 CCR5 (0.58) CCR5
SCHEMBL4694892 0.83 CCR5 (0.50) 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 1 patent. 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