SCHEMBL28282013

SCHEMBL28282013

CC(C)(C)OC(=O)n1ccc2cncc-2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.39
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ROCK2 O75116 1/20 0.36
BCHE P06276 1/20 0.35
FAAH O00519 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CYP11B2 P19099 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL6109306 0.78 GRM1 (0.37) GPR119LIPCLIPGBCHE
SCHEMBL17674307 0.77 NR1H2 (0.40) GPR119LIPCLIPGROCK2BCHE
SCHEMBL15687908 0.76 POLB (0.38) GPR119LIPCLIPGBCHEFAAH
SCHEMBL11911366 0.75 GPR119 (0.39) GPR119BCHE
SCHEMBL7528678 0.75 ESR2 (0.40) GPR119BCHE
SCHEMBL14164212 0.75 GPR119 (0.48) GPR119LIPCLIPGBCHE
SCHEMBL2726600 0.74 SCN3A (0.37) GPR119LIPCLIPGBCHE
SCHEMBL12593934 0.73 NR1H2 (0.41) GPR119LIPCLIPGBCHE
SCHEMBL20033881 0.73 BCHE (0.38) GPR119BCHE
SCHEMBL1018306 0.73 BCHE (0.38) GPR119BCHE

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
CN-109641896-A DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS 诺维拉治疗公司 2019-04-16 CN disclosed