SCHEMBL8938447

SCHEMBL8938447

O=C(c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.51
FKBP1A P62942 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
DPP4 P27487 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
EPHX2 P34913 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL8938580 0.90 MEN1 (0.50) ACEKMT2AMEN1NPC1RAB9A
SCHEMBL8938415 0.83 MEN1 (0.49) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL8938420 0.81 MEN1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL8938520 0.80 MEN1 (0.47) FKBP1AKMT2AMEN1NPC1RAB9A
SCHEMBL8938648 0.80 FAAH (0.48) FKBP1AKMT2AMEN1NPC1RAB9A
SCHEMBL8938620 0.80 PLA2G4A (0.48) KMT2AMEN1NPC1RAB9A
SCHEMBL8938585 0.80 PREP (0.58) KMT2AMEN1NPC1RAB9A
SCHEMBL8938499 0.79 MEN1 (0.48) KMT2AMEN1NPC1RAB9A
SCHEMBL8938439 0.79 MEN1 (0.50) KMT2AMEN1NPC1RAB9A
SCHEMBL8938600 0.79 MEN1 (0.45) KMT2AMEN1NPC1RAB9AALDH1A1

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