SCHEMBL4586825

SCHEMBL4586825

COc1ccc(N(Cc2cc(Cl)ccc2F)C2CCN(C(C)CCNC(=O)C3=C(C)C(=O)CN=C3C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL4603239 0.91 CCR5 (0.58) CCR5KCNH2
SCHEMBL4602920 0.90 CCR5 (0.48) CCR5KCNH2
SCHEMBL13931518 0.85 CCR5 (0.73) CCR5KCNH2
SCHEMBL4586581 0.84 CCR5 (0.52) CCR5
SCHEMBL4585488 0.83 CCR5 (0.73) CCR5KCNH2
SCHEMBL4586601 0.82 CCR5 (0.58) CCR5
SCHEMBL4239129 0.81 CCR5 (0.61) CCR5KCNH2
SCHEMBL13931519 0.79 CCR5 (0.66) CCR5KCNH2
SCHEMBL4586815 0.79 CCR5 (0.49) CCR5
SCHEMBL4249163 0.79 CCR5 (0.72) CCR5KCNH2

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