SCHEMBL8938546

SCHEMBL8938546

O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nc2ncccc2o1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.49
FAAH O00519 6/20 0.49
CES1 P23141 4/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.42
PREP P48147 2/20 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
SCHEMBL8938596 0.86 FAAH (0.56) DAGLAFAAHCES1MEN1NPC1
SCHEMBL8938488 0.78 DAGLA (0.52) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL4525177 0.77 PREP (0.46) FAAHKMT2APREP
SCHEMBL20489673 0.77 PREP (0.46) FAAHKMT2APREP
SCHEMBL8938534 0.75 DAGLA (0.49) DAGLAFAAHCES1MEN1NPC1
SCHEMBL8938415 0.75 MEN1 (0.49) MEN1NPC1RAB9AKMT2APREP
SCHEMBL8938648 0.73 FAAH (0.48) FAAHCES1MEN1NPC1RAB9A
SCHEMBL6285952 0.73 PREP (0.65) MEN1NPC1RAB9AKMT2APREP
SCHEMBL6285958 0.73 PREP (0.65) MEN1NPC1RAB9AKMT2APREP
SCHEMBL8938447 0.72 ACE (0.51) MEN1NPC1RAB9AKMT2A

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
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed