SCHEMBL6006841

SCHEMBL6006841

CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)CCc3cccnc3)CC1)CC2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.65
C3AR1 Q16581 9/20 0.44

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
SCHEMBL6006847 0.87 CCR5 (0.73) CCR5
SCHEMBL6008042 0.85 CCR5 (0.74) CCR5
SCHEMBL6006576 0.82 CCR5 (0.75) CCR5
SCHEMBL6008360 0.81 CCR5 (0.69) CCR5
SCHEMBL6006092 0.81 CCR5 (0.76) CCR5
SCHEMBL6008248 0.80 CCR5 (0.72) CCR5
SCHEMBL6006856 0.80 CCR5 (0.74) CCR5
SCHEMBL6007321 0.80 CCR5 (0.80) CCR5
SCHEMBL6008272 0.80 CCR5 (0.79) CCR5
SCHEMBL6005547 0.80 CCR5 (0.81) 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