Diketopiperazine

Diketopiperazine

SCHEMBL1923949

O=C1CNC(=O)CN1.O=C1NCCNC1=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.42
OR51E2 Q9H255 1/20 0.35
GAA P10253 1/20 0.35
FKBP5 Q13451 1/20 0.33
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 1/20 0.30
GRK5 P34947 1/20 0.30
KDR P35968 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK8 P49336 1/20 0.30
CDK7 P50613 1/20 0.30
RPS6KA3 P51812 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL4973748 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5
Diketopiperazine SCHEMBL27918928 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5
SCHEMBL31296913 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5
SCHEMBL24827100 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5
Diketopiperazine SCHEMBL66638 0.83
SCHEMBL23975525 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5
SCHEMBL21785045 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5CHEK1
SCHEMBL31059 0.83
SCHEMBL9058472 0.83 CRBN (0.47) CRBNOR51E2GAAFKBP5CHEK1
SCHEMBL2672858 0.79

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-2021360-B1 CYCLODIPEPTIDE SYNTHETASE AND ITS USE FOR SYNTHESIS OF CYCLO(TYR-Xaa) CYCLODIPEPTIDES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-09-14 EP disclosed
EP-2021357-B1 CYCLODIPEPTIDE SYNTHETASES AND THEIR USE FOR SYNTHESIS OF CYCLO(LEU-LEU) CYCLODIPEPTIDE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-06-08 EP disclosed