SCHEMBL4586617

SCHEMBL4586617

CC1=NCC(=O)C(C)=C1C(=O)NCCC(C)N1CCC(NC(c2cncnc2)c2ccsc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.43
KCNH2 Q12809 7/20 0.40

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
SCHEMBL4245222 0.83 CCR5 (0.49) CCR5KCNH2
SCHEMBL4239259 0.79 CCR5 (0.49) CCR5KCNH2
SCHEMBL4241384 0.77 CCR5 (0.50) CCR5KCNH2
SCHEMBL4240047 0.77 CCR5 (0.50) CCR5KCNH2
SCHEMBL4585488 0.76 CCR5 (0.73) CCR5KCNH2
SCHEMBL4242522 0.75 C3AR1 (0.39) CCR5KCNH2
SCHEMBL4240181 0.75 CCR5 (0.56) CCR5
SCHEMBL4239882 0.74 CCR5 (0.57) CCR5KCNH2
SCHEMBL4247992 0.74 CCR5 (0.52) CCR5KCNH2
SCHEMBL4240165 0.74 CCR5 (0.51) 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