SCHEMBL13637637

SCHEMBL13637637

CNC(=O)NCCC(C)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ANPEP P15144 3/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 2/20 0.36
KMT2A Q03164 2/20 0.36
CASR P41180 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
MTNR1A P48039 1/20 0.35
EPHX1 P07099 6/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL7751971 0.84 ANPEP (0.50) KEAP1NFE2L2ANPEPRNPEPDNPEP
SCHEMBL4545266 0.77 KEAP1 (0.48) ALDH1A1KEAP1NFE2L2KMT2AMTNR1A
SCHEMBL9975574 0.76
SCHEMBL1923786 0.76
SCHEMBL26198968 0.76
SCHEMBL13627727 0.76
SCHEMBL3834863 0.76
SCHEMBL18478347 0.76
SCHEMBL13268513 0.76
SCHEMBL6636082 0.76

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-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed