SCHEMBL4415713

SCHEMBL4415713

Cc1cc(C#N)nc(C)c1C(=O)N1CC(N2CCC(N(Cc3ccsc3)C(=O)CN3CCOC3=O)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57
KCNH2 Q12809 6/20 0.46

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
SCHEMBL14185475 0.88 CCR5 (0.54) CCR5KCNH2
SCHEMBL4429198 0.83 CCR5 (0.63) CCR5KCNH2
SCHEMBL3767900 0.83 CCR5 (0.83) CCR5KCNH2
SCHEMBL3767895 0.83 CCR5 (0.83) CCR5KCNH2
SCHEMBL4421630 0.75 CCR5 (0.52) CCR5KCNH2
SCHEMBL4552101 0.74 CCR5 (0.48) CCR5KCNH2
SCHEMBL14185476 0.74 CCR5 (0.48) CCR5KCNH2
SCHEMBL3756667 0.72 CCR5 (1.00) CCR5KCNH2
SCHEMBL3752682 0.72 CCR5 (0.85) CCR5KCNH2
SCHEMBL3756671 0.72 CCR5 (1.00) 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 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