SCHEMBL4697349

SCHEMBL4697349

O=C(N[C@@H](CCN1CC2CN(C(=O)O)CC2C1)c1ccccc1)C1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.84

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
SCHEMBL13326659 0.88 CCR5 (0.75) CCR5
SCHEMBL13359857 0.88 CCR5 (0.75) CCR5
SCHEMBL13326657 0.86 CCR5 (0.73) CCR5
SCHEMBL13326707 0.86 CCR5 (0.73) CCR5
SCHEMBL4689746 0.86 CCR5 (0.77) CCR5
SCHEMBL5424890 0.86 CCR5 (1.00) CCR5
SCHEMBL4693379 0.86 CCR5 (0.72) CCR5
SCHEMBL13326656 0.86 CCR5 (1.00) CCR5
SCHEMBL13326679 0.86 CCR5 (1.00) CCR5
SCHEMBL13359858 0.86 CCR5 (1.00) 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