SCHEMBL6009042

SCHEMBL6009042

CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.83
KCNH2 Q12809 1/20 0.56

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
SCHEMBL6005865 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL6005870 0.90 CCR5 (1.00) CCR5KCNH2
SCHEMBL6009040 0.89 CCR5 (0.81) CCR5
SCHEMBL6007403 0.88 CCR5 (0.88) CCR5KCNH2
SCHEMBL6008460 0.85 CCR5 (0.84) CCR5KCNH2
SCHEMBL30227475 0.84 CCR5 (1.00) CCR5KCNH2
SCHEMBL6009343 0.83 CCR5 (0.74) CCR5KCNH2
SCHEMBL6007071 0.83 CCR5 (0.84) CCR5KCNH2
SCHEMBL6009311 0.82 CCR5 (0.72) CCR5KCNH2
SCHEMBL4460303 0.82 CCR5 (0.74) 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