SCHEMBL9795196

SCHEMBL9795196

CN(C)CCNC(=O)CC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
DNM1 Q05193 1/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
LGALS1 P09382 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
BCHE P06276 3/20 0.33
CASP2 P42575 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
PKM P14618 1/20 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
SCHEMBL9795202 0.87 KMT2A (0.39) HTTPOLBBCHELMNAALDH1A1
SCHEMBL9795057 0.82 EPHX2 (0.33) BCHEEPHX2
SCHEMBL9795256 0.81 HSD11B1 (0.45) HTTPOLBBCHEL3MBTL1LMNA
SCHEMBL9795185 0.80 KEAP1 (0.36) BCHEEPHX2
SCHEMBL9795351 0.79 FAAH (0.35) DNM1POLBBCHEALDH1A1
SCHEMBL9499610 0.79 FAAH (0.35) DNM1POLBBCHEALDH1A1
SCHEMBL9497877 0.79 FAAH (0.35) DNM1POLBBCHEALDH1A1
SCHEMBL9498012 0.77 PKM (0.40) HTTPOLBBCHEL3MBTL1ALDH1A1
SCHEMBL9795150 0.77 GSR (0.40) DNM1HTTPOLBLGALS1BCHE
SCHEMBL9795073 0.77 TMEM97 (0.38) ALDH1A1

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