SCHEMBL30503545

SCHEMBL30503545

CC(C)(C)OC(=O)N1CC2(CC[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.47
ABHD6 Q9BV23 4/20 0.47
FAAH O00519 1/20 0.43
GPR119 Q8TDV5 1/20 0.40
LIPE Q05469 1/20 0.39
SGPL1 O95470 1/20 0.39
S1PR1 P21453 1/20 0.39
HCRTR2 O43614 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PIM1 P11309 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL26631491 1.00 MGLL (0.47) MGLLABHD6FAAHGPR119LIPE
SCHEMBL29427036 1.00 MGLL (0.47) MGLLABHD6FAAHGPR119LIPE
SCHEMBL29427132 1.00 MGLL (0.47) MGLLABHD6FAAHGPR119LIPE
SCHEMBL25408234 0.86 MGLL (0.49) MGLLABHD6FAAHFFAR4
SCHEMBL23868006 0.86 MGLL (0.58) MGLLABHD6GPR119LIPE
SCHEMBL29470023 0.86 MGLL (0.58) MGLLABHD6GPR119LIPE
SCHEMBL29426777 0.83 MGLL (0.54) MGLLABHD6
SCHEMBL26631312 0.83 PDE4B (0.40) MGLLABHD6GPR119LIPERORC
SCHEMBL29497506 0.83 PDE4B (0.40) MGLLABHD6GPR119LIPERORC
SCHEMBL26738754 0.83 MGLL (0.54) MGLLABHD6

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed