SCHEMBL6008381

SCHEMBL6008381

CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3ccnn3C)CC1)CC2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.72
RAB9A P51151 1/20 0.36

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
SCHEMBL6007299 0.88 CCR5 (0.76) CCR5
SCHEMBL6006576 0.88 CCR5 (0.75) CCR5
SCHEMBL6009033 0.87 CCR5 (0.67) CCR5
SCHEMBL6008104 0.86 CCR5 (0.66) CCR5
SCHEMBL6005547 0.85 CCR5 (0.81) CCR5
SCHEMBL6007249 0.85 CCR5 (0.69) CCR5
SCHEMBL6008380 0.85 CCR5 (0.71) CCR5
SCHEMBL6006892 0.85 CCR5 (0.75) CCR5
SCHEMBL6006131 0.85 CCR5 (0.73) CCR5
SCHEMBL6006847 0.84 CCR5 (0.73) 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