SCHEMBL8938620

SCHEMBL8938620

O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.48
PKM P14618 1/20 0.48
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 3/20 0.42
PREP P48147 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
SCHEMBL8938439 0.98 MEN1 (0.50) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938598 0.91 PKM (0.44) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938473 0.90 PREP (0.56) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938442 0.87 PKM (0.42) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938468 0.87 PREP (0.43) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938518 0.87 PKM (0.41) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938526 0.86 PLA2G4A (0.41) PLA2G4APKMCES1MEN1NPC1
SCHEMBL8938415 0.83 MEN1 (0.49) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938532 0.83 PREP (0.56) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938520 0.83 MEN1 (0.47) MEN1NPC1RAB9AKMT2AF2

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