SCHEMBL9329897

SCHEMBL9329897

NC(=O)N1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
GPR119 Q8TDV5 2/20 0.30
F10 P00742 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
SCHEMBL9330359 0.84 MMP2 (0.38) MMP2MMP9ALDH1A1LMNAGAA
SCHEMBL2803121 0.83 MMP2 (0.36) MMP2MMP9GAAHTTSIGMAR1
SCHEMBL4586677 0.81 MMP2 (0.35) MMP2MMP9ALDH1A1LMNAGAA
SCHEMBL213173 0.77 GPR119 (0.51) ALDH1A1LMNAGPR119
SCHEMBL14394505 0.77 FAAH (0.40) MMP2MMP9ALDH1A1GAAGPR119
SCHEMBL23829716 0.75
SCHEMBL9875012 0.75 ALDH1A1 (0.40) MMP2MMP9ALDH1A1SIGMAR1
SCHEMBL6438537 0.75 ALDH1A1 (0.40) MMP2MMP9ALDH1A1SIGMAR1
SCHEMBL28949431 0.75 GAA (0.40) LMNAGAATPSAB1TPSD1TPSG1
SCHEMBL5155654 0.75 CYP1A2 (0.41) ITGB3ITGA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed
EP-0366004-A1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof Roche Diagnostics GmbH (DE) 1990-05-02 EP disclosed