SCHEMBL2178247

SCHEMBL2178247

CNC([C]=O)CCCCN

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
CPB2 Q96IY4 3/20 0.31
NFKB1 P19838 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL2178250 1.00 GSR (0.34) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL3994460 0.93
SCHEMBL10784463 0.80 GSR (0.35) GSRRNPEPCPB2NFKB1FOLH1
SCHEMBL9853666 0.80 MAPT (0.38)
SCHEMBL1308490 0.79 GSR (0.32) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL451174 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL9853678 0.78 MAPT (0.41)
SCHEMBL19100559 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL451173 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL3854190 0.78 EPHX1 (0.36) CPB2

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-20110166208-A1 Nucleotide and Amino Acid Sequences for Calmodulin Protein Methyltransferase UNIVERSITY OF KENTUCKY (US) 2011-07-07 US disclosed