SCHEMBL8411315

SCHEMBL8411315

CC(C(=O)O)N1CCN(c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
PRMT1 Q99873 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 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
SCHEMBL8520030 0.91 MEN1 (0.49) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL8026728 0.83 MEN1 (0.64) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL4515174 0.79 KMT2A (0.58) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL11036674 0.76 MEN1 (0.55) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL610584 0.74 NPC1 (1.00) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL11036717 0.73 MEN1 (0.50) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL10887685 0.72 MEN1 (0.58) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL30165841 0.72 MEN1 (0.49) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL11861565 0.71 KMT2A (0.62) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL13114923 0.71 LMNA (0.47) MEN1NPC1RAB9AKMT2AKDM4E

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
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed