SCHEMBL6009119

SCHEMBL6009119

CCCCC1N(C)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.67
KCNH2 Q12809 1/20 0.51

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
SCHEMBL6008620 0.86 CCR5 (0.63) CCR5
SCHEMBL6008496 0.85 CCR5 (0.59) CCR5
SCHEMBL6008323 0.84 CCR5 (0.59) CCR5
SCHEMBL6008613 0.83 CCR5 (0.71) CCR5KCNH2
SCHEMBL6008994 0.83 CCR5 (0.69) CCR5
SCHEMBL6007335 0.83 CCR5 (0.59) CCR5
Trifluoroacetic Acid SCHEMBL6008404 0.82 CCR5 (0.53) CCR5
SCHEMBL6006767 0.81 CCR5 (0.53) CCR5
SCHEMBL6009045 0.81 CCR5 (0.61) CCR5
SCHEMBL6007546 0.81 CCR5 (0.53) 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