SCHEMBL6008602

SCHEMBL6008602

CCCCC1CN(CCN2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.81
KCNH2 Q12809 1/20 0.50

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
SCHEMBL6006193 0.94 CCR5 (0.79) CCR5
SCHEMBL6007989 0.92 CCR5 (0.81) CCR5
SCHEMBL6006843 0.92 CCR5 (0.81) CCR5
SCHEMBL6008411 0.91 CCR5 (0.79) CCR5
SCHEMBL6008449 0.90 CCR5 (0.78) CCR5
SCHEMBL6006998 0.90 CCR5 (0.82) CCR5
SCHEMBL4468538 0.89 CCR5 (1.00) CCR5KCNH2
SCHEMBL6008371 0.88 CCR5 (0.88) CCR5
SCHEMBL6008418 0.88 CCR5 (0.83) CCR5KCNH2
SCHEMBL6005561 0.87 CCR5 (0.92) CCR5KCNH2

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