SCHEMBL28098494

SCHEMBL28098494

O=C(O)N1CCC(CCc2ccc(O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
GRIN2B Q13224 5/20 0.52
GRIN2D O15399 4/20 0.52
GRIN3B O60391 4/20 0.52
GRIN1 Q05586 4/20 0.52
GRIN2A Q12879 4/20 0.52
GRIN2C Q14957 4/20 0.52
GRIN3A Q8TCU5 4/20 0.52
FAAH O00519 1/20 0.46
SPR P35270 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL8670678 0.87 MAOA (0.55) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL1581379 0.86 FAAH (0.60) MAOBFAAHSPR
SCHEMBL19026472 0.86 FAAH (0.45) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL19994566 0.86 MAOB (0.56) MAOBFAAH
SCHEMBL19994530 0.86 MAOB (0.56) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL15954401 0.86 MAOB (0.47) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL19994655 0.86 FAAH (0.45) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL27670166 0.86 MAOB (0.54) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL27670393 0.85 MAOB (0.54) MAOBGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL27689183 0.85 MAOB (0.54) MAOBGRIN2BGRIN2DGRIN3BGRIN1

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-103596960-B 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides 大塚制药株式会社 2016-11-16 CN disclosed