SCHEMBL4585488

SCHEMBL4585488

COc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)C3=C(C)C(=O)CN=C3C)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.73
KCNH2 Q12809 3/20 0.49

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
SCHEMBL4603526 0.92 CCR5 (0.62) CCR5KCNH2
SCHEMBL4236563 0.85 CCR5 (0.82) CCR5KCNH2
SCHEMBL4236558 0.85 CCR5 (0.82) CCR5KCNH2
SCHEMBL13931590 0.85 CCR5 (1.00) CCR5KCNH2
SCHEMBL4239888 0.85 CCR5 (0.81) CCR5KCNH2
SCHEMBL4239885 0.85 CCR5 (0.81) CCR5KCNH2
SCHEMBL13931629 0.83 CCR5 (0.79) CCR5KCNH2
SCHEMBL4243405 0.83 CCR5 (0.81) CCR5KCNH2
SCHEMBL4243409 0.83 CCR5 (0.81) CCR5KCNH2
SCHEMBL4586825 0.83 CCR5 (0.56) 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-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