SCHEMBL30104729

SCHEMBL30104729

CCOc1ccc(C(C)(C)C)cc1C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.62
GPR119 Q8TDV5 9/20 0.47
NAMPT P43490 4/20 0.41
ALDH1A1 P00352 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23867964 1.00 MGLL (0.62) MGLLGPR119NAMPTALDH1A1PDE4A
SCHEMBL23868042 0.89 MGLL (0.61) MGLLGPR119NAMPTPDE4APDE4B
SCHEMBL30104745 0.89 MGLL (0.61) MGLLGPR119NAMPTPDE4APDE4B
SCHEMBL30104720 0.85 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL23867968 0.85 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL23867886 0.83 MGLL (0.58) MGLLGPR119NAMPTSMN1; SMN2
SCHEMBL30104728 0.83 MGLL (0.58) MGLLGPR119NAMPTSMN1; SMN2
SCHEMBL23867903 0.80 MGLL (0.64) MGLLALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL24350749 0.80 MGLL (0.58) MGLLGPR119ALDH1A1HSD17B10HTT
SCHEMBL23859675 0.79 MGLL (0.77) MGLL

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