SCHEMBL4552231

SCHEMBL4552231

CONC(=O)N(Cc1ccsc1)C1CCN(C2(C)CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.48
KCNH2 Q12809 7/20 0.48
HSD11B1 P28845 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4552911 0.91 CCR5 (0.50) CCR5KCNH2
SCHEMBL4416636 0.81 CCR5 (0.52) CCR5KCNH2
SCHEMBL14185474 0.78 CCR5 (0.64) CCR5KCNH2
SCHEMBL4551472 0.78 CCR5 (0.49) CCR5KCNH2HSD11B1
SCHEMBL4552096 0.78 CCR5 (0.56) CCR5KCNH2
SCHEMBL14185345 0.78 CCR5 (0.55) CCR5KCNH2
SCHEMBL14185374 0.78 CCR5 (0.53) CCR5KCNH2
SCHEMBL3749999 0.77 CCR5 (0.50) CCR5KCNH2
SCHEMBL14185417 0.77 CCR5 (0.59) CCR5KCNH2
SCHEMBL14185344 0.77 CCR5 (0.49) 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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed