SCHEMBL5134487

SCHEMBL5134487

Cc1ccncc1CN(c1ccccc1-c1ccc(Cl)nc1)C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.70
KCNH2 Q12809 1/20 0.70

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
SCHEMBL5134486 1.00 CCR5 (0.70) CCR5KCNH2
SCHEMBL5146012 0.92 CCR5 (0.81) CCR5KCNH2
SCHEMBL5146016 0.92 CCR5 (0.81) CCR5KCNH2
SCHEMBL4243252 0.89 CCR5 (0.82) CCR5KCNH2
SCHEMBL4243254 0.89 CCR5 (0.82) CCR5KCNH2
SCHEMBL4248235 0.87 CCR5 (0.84) CCR5KCNH2
SCHEMBL4248230 0.87 CCR5 (0.84) CCR5KCNH2
SCHEMBL4241437 0.85 CCR5 (0.81) CCR5KCNH2
SCHEMBL4241439 0.85 CCR5 (0.81) CCR5KCNH2
SCHEMBL4243997 0.84 CCR5 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP disclosed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed