SCHEMBL4605017

SCHEMBL4605017

COc1ccnc(OC)c1C(=O)NCCC(C)N1CCC(N(Cc2cc(C#N)ccc2F)c2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.51

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
SCHEMBL4243258 0.88 CCR5 (0.54) CCR5
SCHEMBL4243247 0.88 CCR5 (0.54) CCR5
SCHEMBL4241224 0.84 CCR5 (0.56) CCR5
SCHEMBL4241217 0.84 CCR5 (0.56) CCR5
SCHEMBL4236936 0.83 CCR5 (0.51) CCR5
SCHEMBL4586815 0.82 CCR5 (0.49) CCR5
SCHEMBL4243359 0.80 CCR5 (0.45) CCR5
SCHEMBL4243356 0.80 CCR5 (0.45) CCR5
SCHEMBL13931532 0.80 CCR5 (0.70) CCR5
SCHEMBL4244473 0.79 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