SCHEMBL4428348

SCHEMBL4428348

CC(C)(C)OC(=O)NCCCNCCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 1/20 0.39
HTT P42858 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
SCHEMBL3364707 0.88 TDP1 (0.59) MAOAMAOBTDP1MEN1GAA
SCHEMBL6512105 0.88 TDP1 (0.53) MAOAMAOBTDP1MEN1GAA
SCHEMBL1557057 0.88 TDP1 (0.67) MAOAMAOBTDP1MEN1GAA
SCHEMBL1298855 0.86 TDP1 (0.70) MAOAMAOBTDP1MEN1GAA
SCHEMBL18347560 0.86 TDP1 (0.70) MAOAMAOBTDP1MEN1GAA
SCHEMBL25351500 0.84 TDP1 (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL13247413 0.84 MAOA (0.63) MAOAMAOBTDP1MEN1GAA
SCHEMBL25353626 0.84 TDP1 (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL25352741 0.84 TDP1 (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL4417346 0.84 MAOA (0.52) MAOAMAOBTDP1MEN1GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4383651-B2 2009-12-16 JP claimed
EP-1000072-B1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID WYETH CORP (US) 2003-02-19 EP claimed
JP-2001512129-A 2001-08-21 JP claimed
EP-1000072-A1 PROCESS FOR THE PREPARATION OF 2-((8,9)- DIOXO-2,6-DIAZABICYCLO 5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
US-5990307-A Process for the preparation of [2-((8.9)-Dioxo-2,6-Diazabicyclo [5.2.0]-Non-1(7)-en-2yl) Ethyl]Phosphonic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US claimed
WO-1999006417-A1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
CN-1257174-C Producing process for N-[3-(tert-butyl oxycarbonyl amino) propy1]-2-amino ethylphosphonic acid diallcylester WYETH CORP (US) 2006-05-24 CN disclosed
CN-1257174-C Producing process for N-[3-(tert-butyl oxycarbonyl amino) propy1]-2-amino ethylphosphonic acid diallcylester WYETH CORP (US) 2006-05-24 CN disclosed
CN-1526714-A Producing process for N-[3-(tert-butyl oxycarbonyl amino) propy1]-2-amino ethylphosphonic acid diallcylester 2004-09-08 CN disclosed
CN-1526714-A Producing process for N-[3-(tert-butyl oxycarbonyl amino) propy1]-2-amino ethylphosphonic acid diallcylester 2004-09-08 CN disclosed
CN-1149218-C Preparation method of [2- ((8,9) -dioxo-2, 6-diazabicyclo [5.2.0] -non-1 (7) -en-2-yl ] ethyl phosphonic acid 2004-05-12 CN disclosed
EP-1000072-B1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID WYETH CORP (US) 2003-02-19 EP disclosed
EP-1000072-B1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID WYETH CORP (US) 2003-02-19 EP disclosed
EP-1000072-A1 PROCESS FOR THE PREPARATION OF 2-((8,9)- DIOXO-2,6-DIAZABICYCLO 5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
US-6011168-A Process for the preparation[2-((8,9)-dioxo-2,6-diazabicyclo[5.2.0]-non-1(7)-en-2-yl)ethy l]phosphonic acid AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-04 US disclosed
US-6011168-A Process for the preparation[2-((8,9)-dioxo-2,6-diazabicyclo[5.2.0]-non-1(7)-en-2-yl)ethy l]phosphonic acid AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-04 US disclosed
US-5990307-A Process for the preparation of [2-((8.9)-Dioxo-2,6-Diazabicyclo [5.2.0]-Non-1(7)-en-2yl) Ethyl]Phosphonic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
US-5990307-A Process for the preparation of [2-((8.9)-Dioxo-2,6-Diazabicyclo [5.2.0]-Non-1(7)-en-2yl) Ethyl]Phosphonic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
WO-1999006417-A1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1999006417-A1 PROCESS FOR THE PREPARATION OF [2-((8,9)- DIOXO-2,6-DIAZABICYCLO [5.2.0]-NON-1(7)-EN-2-YL)-ETHYL] PHOSPHONIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed