SCHEMBL6005984

SCHEMBL6005984

CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C#N)CC1)CC2

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.86

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
SCHEMBL6008097 0.93 CCR5 (1.00) CCR5
SCHEMBL6008552 0.93 CCR5 (1.00) CCR5
SCHEMBL4458526 0.93 CCR5 (1.00) CCR5
SCHEMBL6007326 0.92 CCR5 (1.00) CCR5
SCHEMBL6006922 0.89 CCR5 (0.93) CCR5
SCHEMBL6005856 0.88 CCR5 (0.91) CCR5
SCHEMBL6006982 0.88 CCR5 (0.86) CCR5
SCHEMBL6008519 0.86 CCR5 (0.88) CCR5
SCHEMBL6006163 0.86 CCR5 (0.88) CCR5
Trifluoroacetic Acid SCHEMBL6007096 0.86 CCR5 (0.88) 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-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP claimed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO claimed