SCHEMBL4587019

SCHEMBL4587019

Cc1ccc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(C)cc(-c4ccncc4)cc3C)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.66

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
SCHEMBL13931361 0.94 CCR5 (0.75) CCR5
SCHEMBL4244555 0.94 CCR5 (0.75) CCR5
SCHEMBL4240564 0.94 CCR5 (0.75) CCR5
SCHEMBL4239232 0.94 CCR5 (0.75) CCR5
SCHEMBL4239235 0.94 CCR5 (0.75) CCR5
SCHEMBL13931362 0.94 CCR5 (0.75) CCR5
SCHEMBL4242993 0.93 CCR5 (0.68) CCR5
SCHEMBL4240184 0.89 CCR5 (0.69) CCR5
SCHEMBL4243380 0.89 CCR5 (0.78) CCR5
SCHEMBL4241098 0.88 CCR5 (0.77) 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