SCHEMBL9348697

SCHEMBL9348697

O=C(NCCCO[N+](=O)[O-])C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.57
TLR2 O60603 2/20 0.43
HTR2C P28335 6/20 0.39
HTR2B P41595 3/20 0.39
KDM4E B2RXH2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TERT O14746 1/20 0.36
HTR2A P28223 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
MAPK14 Q16539 2/20 0.35

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
SCHEMBL13396336 0.96 PRCP (0.59) PRCPTLR2HTR2CHTR2BKDM4E
Fumaric Acid SCHEMBL9344920 0.85 PRCP (0.46) PRCPTLR2HTR2CHTR2BKDM4E
SCHEMBL9330739 0.81 BCHE (0.38) PRCP
SCHEMBL9799548 0.80 PRCP (0.41) PRCPTLR2HTR2C
SCHEMBL3403308 0.78 CA12 (0.36) PRCPTLR2DPP7
SCHEMBL3307245 0.78 PRCP (0.34) PRCPTLR2DPP7
SCHEMBL3305980 0.78 CA12 (0.36) PRCPTLR2DPP7
SCHEMBL4430690 0.78 PRCP (0.34) PRCPTLR2DPP7
SCHEMBL15329272 0.77 PRCP (0.70) PRCPTLR2HTR2CHTR2BKDM4E
Hydrochloric Acid SCHEMBL3308857 0.77 CA12 (0.36) PRCPTLR2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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