SCHEMBL4429198

SCHEMBL4429198

CONC(=O)N(Cc1ccsc1)C1CCN(C2CN(C(=O)c3c(C)cc(C#N)nc3C)C2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.63
KCNH2 Q12809 7/20 0.63
CCL5 P13501 1/20 0.38

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
SCHEMBL4552548 0.88 CCR5 (0.60) CCR5KCNH2
SCHEMBL14185417 0.87 CCR5 (0.59) CCR5KCNH2
SCHEMBL4551933 0.86 CCR5 (0.73) CCR5KCNH2
SCHEMBL4551934 0.85 CCR5 (0.65) CCR5KCNH2
SCHEMBL4552965 0.85 CCR5 (0.65) CCR5KCNH2
SCHEMBL14185375 0.84 CCR5 (0.69) CCR5KCNH2
SCHEMBL4415713 0.83 CCR5 (0.57) CCR5KCNH2
SCHEMBL3752583 0.82 CCR5 (0.89) CCR5KCNH2
SCHEMBL3760916 0.82 CCR5 (0.89) CCR5KCNH2
SCHEMBL3754334 0.81 CCR5 (0.72) 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