SCHEMBL4411263

SCHEMBL4411263

Cc1ccc(Oc2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCC(O)C5)CC4)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
SLC18A2 Q05940 1/20 0.37
CCR8 P51685 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.34
FAAH O00519 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4411141 0.93 CCR8 (0.41) CCR8ACHEFAAHMAPTKMT2A
SCHEMBL4400741 0.92 L3MBTL1 (0.39) SLC6A3SLC18A2CCR8L3MBTL1FAAH
SCHEMBL4403841 0.92 CCR8 (0.39) SLC6A3SLC18A2CCR8L3MBTL1FAAH
SCHEMBL4542491 0.89 HTR7 (0.37) SLC18A2CCR8HTR1ADRD2
SCHEMBL915248 0.88 KMT2A (0.42) SLC6A3SLC18A2CCR8GAAKMT2A
SCHEMBL4405829 0.85 PARP1 (0.37) CCR8ACHEKMT2AHTR1ADRD3
SCHEMBL4406787 0.85 PARP1 (0.37) CCR8ACHEKMT2AHTR1ADRD3
SCHEMBL4394218 0.85 CCR8 (0.41) CCR8FAAHHTR1ADRD2
SCHEMBL4404557 0.85 CCR8 (0.43) CCR8L3MBTL1FAAHMAPTKMT2A
SCHEMBL4399208 0.85 CCR3 (0.39) SLC6A3SLC18A2CCR8ALDH1A1MAPT

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