SCHEMBL4400741

SCHEMBL4400741

Cc1ccc(Oc2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CCR8 P51685 2/20 0.38
SOS1 Q07889 1/20 0.36
FAAH O00519 3/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC18A2 Q05940 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TERT O14746 1/20 0.35

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
SCHEMBL4403841 0.93 CCR8 (0.39) L3MBTL1CCR8FAAHSLC6A3SLC18A2
SCHEMBL4394218 0.92 CCR8 (0.41) CCR8SOS1FAAHDRD2
SCHEMBL4411263 0.92 SLC6A3 (0.37) L3MBTL1CCR8FAAHSLC6A3SLC18A2
SCHEMBL4409226 0.88 HTR7 (0.40) CCR8SOS1FAAHDRD2TERT
SCHEMBL4398634 0.87 HTR7 (0.44) CCR8SOS1DRD2
SCHEMBL914932 0.86 DRD2 (0.42) DRD2DRD3
SCHEMBL4404557 0.86 CCR8 (0.43) L3MBTL1CCR8SOS1FAAHKDM4E
SCHEMBL4399208 0.85 CCR3 (0.39) CCR8SOS1SLC6A3SLC18A2DRD2
SCHEMBL4404435 0.85 TERT (0.39) FAAHKDM4ERXFP1TERT
SCHEMBL4409097 0.85 CCR8 (0.44) CCR8FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed