SCHEMBL9330359

SCHEMBL9330359

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33
GPR119 Q8TDV5 4/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
CHRM4 P08173 1/20 0.31
AKR1C3 P42330 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL2803178 0.84 MMP2 (0.38) MMP2MMP9TEAD1TEAD3GPR119
SCHEMBL9329897 0.84 MMP2 (0.36) MMP2MMP9TPSAB1TPSD1TPSG1
SCHEMBL14394506 0.80 GNAI3 (0.46) TPSAB1TPSD1TPSG1THRBALDH1A1
SCHEMBL9330370 0.77 MMP2 (0.41) MMP2MMP9ALDH1A1
SCHEMBL27270756 0.77 AKR1C3 (0.47) TEAD1TEAD3TPSAB1TPSD1TPSG1
SCHEMBL9349025 0.77 MMP2 (0.36) MMP2MMP9
SCHEMBL5148797 0.76 MEN1 (0.37) MMP2MMP9
SCHEMBL2369188 0.75 GPR119 (0.38) MMP9TEAD1TEAD3TPSAB1TPSD1
SCHEMBL9332559 0.75 PRMT3 (0.39) MMP2MMP9
SCHEMBL27660322 0.74 GAA (0.39) TEAD1TEAD3TPSAB1TPSD1TPSG1

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