SCHEMBL4603526

SCHEMBL4603526

CC1=NCC(=O)C(C)=C1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.62
KCNH2 Q12809 6/20 0.47

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
SCHEMBL4585488 0.92 CCR5 (0.73) CCR5KCNH2
SCHEMBL4605196 0.87 CCR5 (0.74) CCR5
SCHEMBL4248442 0.86 CCR5 (0.69) CCR5KCNH2
SCHEMBL4248439 0.86 CCR5 (0.69) CCR5KCNH2
SCHEMBL13931593 0.85 CCR5 (0.84) CCR5KCNH2
SCHEMBL4240147 0.85 CCR5 (0.70) CCR5KCNH2
SCHEMBL4240143 0.85 CCR5 (0.70) CCR5KCNH2
SCHEMBL13931621 0.84 CCR5 (0.66) CCR5KCNH2
SCHEMBL13931615 0.84 CCR5 (0.68) CCR5KCNH2
SCHEMBL4244751 0.84 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 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