SCHEMBL4617459

SCHEMBL4617459

Cc1cccc(O[C@@H](c2cccnc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.82

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
SCHEMBL4243432 1.00 CCR5 (0.82) CCR5
SCHEMBL4247037 0.92 CCR5 (0.87) CCR5
SCHEMBL13952549 0.89 CCR5 (0.87) CCR5
SCHEMBL4235979 0.88 CCR5 (0.84) CCR5
SCHEMBL4239497 0.88 CCR5 (0.84) CCR5
SCHEMBL4239256 0.87 CCR5 (0.89) CCR5
SCHEMBL4249197 0.87 CCR5 (1.00) CCR5
SCHEMBL4241995 0.87 CCR5 (0.83) CCR5
SCHEMBL4240456 0.86 CCR5 (0.89) CCR5
SCHEMBL4238885 0.86 CCR5 (0.81) 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 disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed