SCHEMBL4552558

SCHEMBL4552558

CC(C)(C)N1CC(c2ccccc2)N(C2CCN(C3(C)CCNCC3)CC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.47

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
SCHEMBL4551935 0.87 CCR5 (0.56) CCR5
SCHEMBL4597902 0.84 CCR5 (0.44) CCR5
SCHEMBL5573859 0.84 CCR5 (0.44) CCR5
SCHEMBL4551923 0.83 CCR5 (0.65) CCR5
SCHEMBL4209312 0.82 CCR5 (0.56) CCR5
SCHEMBL14185329 0.80 CCR5 (0.75) CCR5
SCHEMBL4012998 0.79 CCR5 (0.69) CCR5
SCHEMBL13969447 0.79 CCR5 (0.68) CCR5
SCHEMBL4552097 0.78 CCR5 (0.41) CCR5
SCHEMBL4013527 0.77 CCR5 (0.69) 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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed