SCHEMBL4593875

SCHEMBL4593875

CCc1ccnc(CC)c1C(=O)NCCC(C)N1CCC(C2(c3ccc(OC)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4239255 0.87 CCR5 (0.58) CCR5KCNH2
SCHEMBL13931589 0.86 CCR5 (0.61) CCR5
SCHEMBL4236540 0.79 CCR5 (0.54) CCR5KCNH2
SCHEMBL4245102 0.78 CCR5 (0.61) CCR5
SCHEMBL4239876 0.76 CCR5 (0.58) CCR5
SCHEMBL13931584 0.76 CCR5 (0.67) CCR5
SCHEMBL13931576 0.76 CCR5 (0.65) CCR5
SCHEMBL4242777 0.76 CCR5 (0.82) CCR5
SCHEMBL4239774 0.76 CCR5 (0.75) CCR5
SCHEMBL13931585 0.76 CCR5 (0.61) 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