SCHEMBL6005890

SCHEMBL6005890

CCCCCN1C(=O)OC2(CCN(C3CCN(C(=O)c4c(C)cccc4C)CC3)CC2)C1CCCC

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.80
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6008399 0.99 CCR5 (0.79) CCR5KCNH2
SCHEMBL6008414 0.97 CCR5 (0.81) CCR5KCNH2
SCHEMBL6008456 0.96 CCR5 (0.81) CCR5KCNH2
SCHEMBL6008397 0.95 CCR5 (0.75) CCR5
SCHEMBL6009048 0.94 CCR5 (0.79) CCR5KCNH2
SCHEMBL6007564 0.94 CCR5 (0.73) CCR5
SCHEMBL6009155 0.93 CCR5 (0.82) CCR5KCNH2
SCHEMBL6009022 0.92 CCR5 (0.77) CCR5KCNH2
SCHEMBL4460406 0.92 CCR5 (0.75) CCR5
SCHEMBL6009387 0.92 CCR5 (0.76) 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