SCHEMBL6006929

SCHEMBL6006929

CCCCC1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)nc(Oc4ccccc4)nc3C)CC1)CC2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.75
KCNH2 Q12809 1/20 0.53

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
SCHEMBL6008285 0.94 CCR5 (0.74) CCR5KCNH2
SCHEMBL6008239 0.91 CCR5 (0.76) CCR5KCNH2
SCHEMBL6008113 0.90 CCR5 (0.78) CCR5KCNH2
SCHEMBL6007680 0.90 CCR5 (0.80) CCR5KCNH2
SCHEMBL6007543 0.87 CCR5 (0.83) CCR5KCNH2
SCHEMBL4465719 0.86 CCR5 (1.00) CCR5KCNH2
SCHEMBL6005874 0.85 CCR5 (0.80) CCR5KCNH2
SCHEMBL6008208 0.85 CCR5 (0.80) CCR5KCNH2
SCHEMBL4465187 0.85 CCR5 (1.00) CCR5
SCHEMBL4458249 0.85 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 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