SCHEMBL458214

SCHEMBL458214

CC(C)c1noc(C(OS(C)(=O)=O)C2CCNCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.34
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 1/20 0.32
GPR119 Q8TDV5 4/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GPR183 P32249 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
SCHEMBL459381 0.73 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL1679711 0.73 GPR119 (0.57) SLC6A2SLC6A4SLC6A3GPR119GPR183
SCHEMBL457488 0.71 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL461993 0.71 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL470596 0.68 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL384915 0.66 GPR119 (0.59) GPR119GPR183
SCHEMBL386891 0.66 GPR119 (0.59) GPR119GPR183
SCHEMBL1673933 0.65 NR1H4 (0.47) PLATGPR119MAOAMAOB
SCHEMBL38665029 0.64 KDM1A (0.40) PLATGPR119MAOAMAOB
Hydrochloric Acid SCHEMBL514637 0.64 NR1H4 (0.46) PLATGPR119MAOAMAOB

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed