SCHEMBL4587920

SCHEMBL4587920

CC1=NCC(=O)C(C)=C1C(=O)NCCC(C)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.64

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
SCHEMBL4604656 0.91 CCR5 (0.62) CCR5
SCHEMBL4605196 0.89 CCR5 (0.74) CCR5
SCHEMBL4586987 0.89 CCR5 (0.62) CCR5
SCHEMBL4586926 0.87 CCR5 (0.71) CCR5
SCHEMBL4240012 0.86 CCR5 (0.71) CCR5
SCHEMBL4243037 0.85 CCR5 (0.70) CCR5
SCHEMBL4238702 0.83 CCR5 (0.73) CCR5
SCHEMBL4236796 0.82 CCR5 (0.68) CCR5
SCHEMBL4240552 0.82 CCR5 (0.67) CCR5
SCHEMBL4247891 0.82 CCR5 (0.65) 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