SCHEMBL8938532

SCHEMBL8938532

O=C(c1cccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.56
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ACE P12821 3/20 0.44
F2 P00734 2/20 0.44
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL8938420 0.86 MEN1 (0.47) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938620 0.83 PLA2G4A (0.48) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938439 0.82 MEN1 (0.50) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938580 0.80 MEN1 (0.50) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938626 0.80 PREP (0.63) PREPKMT2AALDH1A1TSHRKDM4E
SCHEMBL8938415 0.80 MEN1 (0.49) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938628 0.79 MEN1 (0.47) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL6285952 0.79 PREP (0.65) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL6285958 0.79 PREP (0.65) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL29630318 0.79 DPP4 (0.62) PREPMEN1NPC1RAB9AKMT2A

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