SCHEMBL5146012

SCHEMBL5146012

COc1ccc(-c2ccccc2N(Cc2cnccc2C)C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.81
KCNH2 Q12809 1/20 0.81

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
SCHEMBL5146016 1.00 CCR5 (0.81) CCR5KCNH2
SCHEMBL5134487 0.92 CCR5 (0.70) CCR5KCNH2
SCHEMBL5134486 0.92 CCR5 (0.70) CCR5KCNH2
SCHEMBL4240980 0.90 CCR5 (1.00) CCR5KCNH2
SCHEMBL4246912 0.90 CCR5 (1.00) CCR5KCNH2
SCHEMBL4242242 0.90 CCR5 (1.00) CCR5KCNH2
SCHEMBL5167651 0.89 CCR5 (0.81) CCR5KCNH2
SCHEMBL5167654 0.89 CCR5 (0.81) CCR5KCNH2
SCHEMBL4249162 0.88 CCR5 (0.82) CCR5KCNH2
SCHEMBL4249165 0.88 CCR5 (0.82) 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