SCHEMBL8217828

SCHEMBL8217828

CCCCC[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
PSMD14 O00487 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
MC4R P32245 1/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRM2 Q14416 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC2A1 P11166 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL22649183 1.00 HTR7 (0.39) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL19232108 0.98 PSMD14 (0.41) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL21536775 0.98 PSMD14 (0.41) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL9232425 0.94 HTR7 (0.40) HTR7ALDH1A1HPGDDRD2DRD4
SCHEMBL9278852 0.94 HTR7 (0.40) HTR7ALDH1A1HPGDDRD2DRD4
SCHEMBL6678858 0.89 OPRM1 (0.44) OPRM1SLC2A1
SCHEMBL9137197 0.87 SLC2A1 (0.44) OPRM1SLC2A1
SCHEMBL6684351 0.87 SLC2A1 (0.44) OPRM1SLC2A1
SCHEMBL21503575 0.85 ALDH1A1 (0.44) HTR7ALDH1A1HPGDSLC6A2SLC6A3
SCHEMBL18286641 0.85 ALDH1A1 (0.44) HTR7ALDH1A1HPGDSLC6A2SLC6A3

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-2008033447-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed