SCHEMBL8938488

SCHEMBL8938488

O=C(c1nc2ncccc2[nH]1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.52
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
FKBP1A P62942 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
SCHEMBL8938617 0.88 DAGLA (0.49) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL8938520 0.83 MEN1 (0.47) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938596 0.82 FAAH (0.56) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL8938415 0.81 MEN1 (0.49) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938620 0.79 PLA2G4A (0.48) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938447 0.79 ACE (0.51) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL8938546 0.78 DAGLA (0.49) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL8938439 0.78 MEN1 (0.50) MEN1NPC1RAB9AKMT2A
SCHEMBL8938551 0.77 MEN1 (0.47) MEN1NPC1RAB9AKMT2AF2
SCHEMBL8938648 0.77 FAAH (0.48) 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 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