SCHEMBL9330490

SCHEMBL9330490

NCCN1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
CHRM3 P20309 1/20 0.36
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
GSR P00390 5/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
CA2 P00918 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
SCHEMBL9330735 0.90 KEAP1 (0.39) CHRM3
Fumaric Acid SCHEMBL9348851 0.88 CHRM3 (0.38) ALOX15CHRM3PRMT3CARM1PRMT6
SCHEMBL9330677 0.82 HRH3 (0.40) CHRM3
SCHEMBL5154489 0.82 SLC18A3 (0.38) GSRCA2
SCHEMBL5153918 0.82 GSR (0.33) GSR
Fumaric Acid SCHEMBL9345668 0.80 CHRM3 (0.40) CHRM3
SCHEMBL5148816 0.79 GSR (0.35) GSR
SCHEMBL9330340 0.78 SMN1; SMN2 (0.40) CHRM3GSR
SCHEMBL9330759 0.77 GNAO1 (0.50) CHRM3GNAI3GNAO1GNAI1
SCHEMBL4585987 0.77 ALDH1A1 (0.35) CARM1PRMT6GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US claimed
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