SCHEMBL4586573

SCHEMBL4586573

COc1ccc(N(Cc2cccc(F)c2)C2CCN(C(C)CCNC(=O)c3ccnc(Cl)c3Cl)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.65
KCNH2 Q12809 1/20 0.53

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
SCHEMBL4240004 0.86 CCR5 (0.84) CCR5
SCHEMBL4250006 0.79 CCR5 (0.82) CCR5KCNH2
SCHEMBL4250002 0.79 CCR5 (0.82) CCR5KCNH2
SCHEMBL4236031 0.79 CCR5 (1.00) CCR5
SCHEMBL4242475 0.78 CCR5 (0.87) CCR5
SCHEMBL4241882 0.76 CCR5 (0.86) CCR5
SCHEMBL4249240 0.76 CCR5 (0.72) CCR5KCNH2
SCHEMBL4248208 0.76 CCR5 (0.79) CCR5KCNH2
SCHEMBL4248204 0.76 CCR5 (0.79) CCR5KCNH2
SCHEMBL4247169 0.75 CCR5 (0.88) 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-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed