SCHEMBL8938442

SCHEMBL8938442

O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
PREP P48147 1/20 0.42
PLA2G4A P47712 1/20 0.42
CES1 P23141 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8938473 0.88 PREP (0.56) PKMPREPPLA2G4ACES1NPC1
SCHEMBL8938620 0.87 PLA2G4A (0.48) PKMPREPPLA2G4ACES1NPC1
SCHEMBL8938439 0.85 MEN1 (0.50) PKMPREPPLA2G4ACES1NPC1
SCHEMBL8265528 0.84 PREP (0.46) PREPTSHR
SCHEMBL8938536 0.84 MAPT (0.41) PREPMAPT
SCHEMBL8938395 0.84 FAAH (0.43) PREPCES1
SCHEMBL8938598 0.82 PKM (0.44) PKMPREPPLA2G4ACES1NPC1
SCHEMBL8938630 0.82 PREP (0.42) PREPNPC1RAB9ATP53MAPT
SCHEMBL8938468 0.80 PREP (0.43) PKMPREPPLA2G4ACES1NPC1
SCHEMBL8938526 0.80 PLA2G4A (0.41) PKMPREPPLA2G4ACES1NPC1

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