SCHEMBL4551472

SCHEMBL4551472

CC1(N2CCC(N(Cc3ccsc3)C(=O)CN3CCOC3=O)CC2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.49
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 4/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD11B1 P28845 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4421630 0.81 CCR5 (0.52) CCR5NAAAKCNH2KMT2ANPC1
SCHEMBL14184975 0.79 CCR5 (0.52) CCR5KCNH2
SCHEMBL14185511 0.79 CCR5 (0.51) CCR5KCNH2
SCHEMBL4552101 0.78 CCR5 (0.48) CCR5KCNH2
SCHEMBL14185476 0.78 CCR5 (0.48) CCR5KCNH2
SCHEMBL14185475 0.78 CCR5 (0.54) CCR5KCNH2
SCHEMBL4552231 0.78 CCR5 (0.48) CCR5KCNH2HSD11B1
SCHEMBL4552911 0.75 CCR5 (0.50) CCR5KCNH2
SCHEMBL4390881 0.71 CCR5 (0.53) CCR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4415713 0.68 CCR5 (0.57) 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