SCHEMBL8938534

SCHEMBL8938534

O=C(c1nc2ccccc2o1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.49
FAAH O00519 1/20 0.49
CES1 P23141 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PREP P48147 1/20 0.41
FKBP1A P62942 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 1/20 0.41
XDH P47989 1/20 0.41

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 0.88 FAAH (0.56) DAGLAFAAHCES1NPC1RAB9A
SCHEMBL8938648 0.81 FAAH (0.48) FAAHCES1NPC1RAB9AMEN1
SCHEMBL8938617 0.80 DAGLA (0.49) DAGLANPC1RAB9AMEN1KMT2A
SCHEMBL8938600 0.80 MEN1 (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8938580 0.79 MEN1 (0.50) NPC1RAB9AMEN1KMT2APREP
SCHEMBL8179782 0.78 MEN1 (0.45) NPC1RAB9AMEN1KMT2APREP
SCHEMBL8938415 0.78 MEN1 (0.49) NPC1RAB9AMEN1KMT2APREP
SCHEMBL8938612 0.77 MEN1 (0.47) NPC1RAB9AMEN1KMT2APREP
SCHEMBL9814639 0.77 ACE (0.56) NPC1RAB9AMEN1KMT2AFKBP1A
SCHEMBL8938447 0.77 ACE (0.51) NPC1RAB9AMEN1KMT2AFKBP1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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