SCHEMBL4586245

SCHEMBL4586245

Cc1ncnc(C)c1C(=O)NC(C)CCN1CCC(N(Cc2cc(C#N)ccc2F)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.42

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
SCHEMBL4586174 0.92 CCR5 (0.43) CCR5
SCHEMBL4586220 0.91 CCR5 (0.43) CCR5
SCHEMBL4587024 0.90 CCR5 (0.44) CCR5
SCHEMBL4587594 0.90 CCR5 (0.48) CCR5
SCHEMBL4587688 0.88 CCR5 (0.41) CCR5
SCHEMBL4586942 0.86 CCR5 (0.42) CCR5
SCHEMBL4585509 0.86 CCR5 (0.38) CCR5
SCHEMBL4244722 0.86 CCR5 (0.59) CCR5
SCHEMBL4586706 0.85 CCR5 (0.40) CCR5
SCHEMBL4586981 0.85 CCR5 (0.49) 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 6 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
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