SCHEMBL30104745

SCHEMBL30104745

COc1ccc(C(C)(C)C)cc1C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.61
GPR119 Q8TDV5 5/20 0.44
PDE4B Q07343 4/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
STS P08842 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 3/20 0.40

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
SCHEMBL23868042 1.00 MGLL (0.61) MGLLGPR119PDE4BPDE4APDE4C
SCHEMBL23867964 0.89 MGLL (0.62) MGLLGPR119PDE4BPDE4APDE4C
SCHEMBL30104729 0.89 MGLL (0.62) MGLLGPR119PDE4BPDE4APDE4C
SCHEMBL30104720 0.88 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL23867968 0.88 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL23867886 0.86 MGLL (0.58) MGLLGPR119NAMPT
SCHEMBL30104728 0.86 MGLL (0.58) MGLLGPR119NAMPT
SCHEMBL23867916 0.84 MGLL (0.55) MGLLGPR119MEN1KMT2ANAMPT
SCHEMBL23868000 0.79 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL29426996 0.79 MGLL (0.59) MGLLGPR119NAMPT

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-115362153-A Aza spiro rings as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN disclosed