SCHEMBL4552252

SCHEMBL4552252

Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)NC[C@H]3c3ccccc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.71
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
SCHEMBL14185329 0.85 CCR5 (0.75) CCR5
SCHEMBL14184972 0.85 CCR5 (0.70) CCR5KCNH2
SCHEMBL14185378 0.85 CCR5 (0.73) CCR5KCNH2
SCHEMBL4552094 0.85 CCR5 (0.49) CCR5
SCHEMBL14184998 0.83 CCR5 (1.00) CCR5
SCHEMBL3930662 0.81 CCR5 (1.00) CCR5
SCHEMBL4093534 0.79 CCR5 (1.00) CCR5KCNH2
SCHEMBL3943357 0.79 CCR5 (1.00) CCR5KCNH2
SCHEMBL4552609 0.79 CCR5 (0.45) CCR5
SCHEMBL3938423 0.78 CCR5 (0.65) 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 3 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
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed