SCHEMBL3722147

SCHEMBL3722147

CC(C)(C)OC(=O)NCCN(C(=O)C(=O)O)c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
IDO1 P14902 3/20 0.38
TSHR P16473 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
REN P00797 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NQO2 P16083 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37

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
SCHEMBL3723967 0.82 MMP9 (0.55) GAACKS1BSKP1SKP2MEN1
SCHEMBL3724621 0.79 CKS1B (0.44) GAACKS1BSKP1SKP2MEN1
SCHEMBL31393816 0.74 TDP1 (0.45) DRD2LMNAGAAHPGDCKS1B
SCHEMBL5769720 0.74 CKS1B (0.43) DRD2LMNAGAAHPGDCKS1B
SCHEMBL29168148 0.73 NQO2 (0.57) DRD2LMNAGAAHPGDMEN1
SCHEMBL31117833 0.73 CKS1B (0.45) DRD2LMNAGAAHPGDCKS1B
SCHEMBL15283620 0.71 CKS1B (0.50) DRD2GAACKS1BSKP1SKP2
SCHEMBL1683198 0.71 KMT2A (0.52) DRD2LMNAGAAHPGDMEN1
SCHEMBL15189256 0.71 NPC1 (0.52) LMNAGAACKS1BSKP1SKP2
SCHEMBL4706536 0.70 GAA (0.51) DRD2LMNAGAAHPGDMEN1

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
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed