SCHEMBL9330739

SCHEMBL9330739

O=C(NCCCO[N+](=O)[O-])OC1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.38
PRCP P42785 2/20 0.35
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9330344 0.92 MEN1 (0.36) BCHEPRCP
SCHEMBL9348697 0.81 PRCP (0.57) PRCP
SCHEMBL13396336 0.77 PRCP (0.59) PRCP
SCHEMBL9329917 0.76 PRCP (0.36) BCHEPRCPGAAEPHX2SMN1; SMN2
SCHEMBL9330460 0.74 GAA (0.40) BCHEGAA
SCHEMBL9332542 0.74 BCHE (0.37) BCHEEPHX2SMN1; SMN2
SCHEMBL9330841 0.73 SMN1; SMN2 (0.48) BCHEGAASMN1; SMN2
SCHEMBL28896874 0.70 EPHX1 (0.39) BCHEPRCPGAA
SCHEMBL3305980 0.69 CA12 (0.36) PRCP
SCHEMBL4430690 0.69 PRCP (0.34) PRCP

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-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
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