SCHEMBL9795256

SCHEMBL9795256

CN(C)CCNC(=O)C1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 3/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 2/20 0.34
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.34
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Fumaric Acid SCHEMBL9795302 0.93 HSD11B1 (0.40) HSD11B1L3MBTL1HSD17B10ADORA2AADORA1
SCHEMBL9795239 0.86 POLB (0.48) HSD11B1POLBTP53KMT2ABCHE
SCHEMBL9127574 0.84 KMT2A (0.34) HSD17B10KMT2ABCHETSHRNAAA
SCHEMBL9129841 0.82 LMNA (0.36) KMT2ABCHETSHRNAAALMNA
SCHEMBL9795196 0.81 DGAT1 (0.36) L3MBTL1POLBHTTBCHELMNA
Fumaric Acid SCHEMBL9795509 0.80 POLB (0.43) HSD11B1POLBTP53KMT2ABCHE
SCHEMBL9129520 0.80 NAAA (0.38) L3MBTL1HTTKMT2ABCHETSHR
SCHEMBL9498012 0.80 PKM (0.40) L3MBTL1POLBHTTKMT2ABCHE
SCHEMBL9795253 0.79 GNAI3 (0.39) HTTKMT2ABCHETSHRNAAA
SCHEMBL9498559 0.76 ALOX15 (0.48) L3MBTL1POLBKMT2ATSHRALDH1A1

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed