SCHEMBL3098116

SCHEMBL3098116

N=C(N)NCCCC(NCCP(=O)(O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.36
NPY4R P50391 13/20 0.35
NPY1R P25929 8/20 0.35
NPY5R Q15761 8/20 0.35
NPY2R P49146 5/20 0.35
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2991927 0.90 OTC (0.41) OTCNPY4RNPY1RNPY5RNPY2R
SCHEMBL2992625 0.87 OTC (0.37) OTCNPY4RNPY1RNPY5RNPY2R
SCHEMBL3091575 0.87 OTC (0.37) OTCNPY4RNPY1RNPY5RNPY2R
SCHEMBL22279914 0.84 ALOX15 (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL3097987 0.82 ALOX15 (0.36) OTCNPY4RNPY1RNPY5RNPY2R
SCHEMBL3100443 0.81 LMNA (0.44) CYP1A2ALDH1A1TDP1
SCHEMBL3095512 0.80 LMNA (0.42) ALDH1A1TDP1
SCHEMBL10727007 0.79 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL1388278 0.78 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL8120411 0.78 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RALOX15

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed