SCHEMBL5134585

SCHEMBL5134585

Cc1ccncc1CN(c1ccccc1-c1ccc(OC(F)F)cc1)C1CCN(C(C)CCNC(=O)c2c(C)cc(F)nc2C)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72
KCNH2 Q12809 1/20 0.61

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
SCHEMBL5134584 1.00 CCR5 (0.72) CCR5KCNH2
SCHEMBL4242963 0.90 CCR5 (0.89) CCR5KCNH2
SCHEMBL4242969 0.90 CCR5 (0.89) CCR5KCNH2
SCHEMBL5146012 0.87 CCR5 (0.81) CCR5KCNH2
SCHEMBL5146016 0.87 CCR5 (0.81) CCR5KCNH2
SCHEMBL5134581 0.85 CCR5 (0.69) CCR5KCNH2
SCHEMBL4237583 0.85 CCR5 (0.84) CCR5KCNH2
SCHEMBL4237576 0.85 CCR5 (0.84) CCR5KCNH2
SCHEMBL4246181 0.84 CCR5 (1.00) CCR5KCNH2
SCHEMBL4246176 0.84 CCR5 (1.00) 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 claimed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO claimed