SCHEMBL3108933

SCHEMBL3108933

N=C(N)NCCC[C@H](NCP(=O)(O)O)C(=O)NCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.35
NPY4R P50391 7/20 0.32
NPY1R P25929 5/20 0.32
MME P08473 5/20 0.32
ECE1 P42892 5/20 0.32
NPY2R P49146 3/20 0.32
NPY5R Q15761 3/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FPR2 P25090 1/20 0.30
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30
MC4R P32245 1/20 0.30
MC3R P41968 1/20 0.30
MC1R Q01726 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
SCHEMBL2991514 0.90 OTC (0.42) OTCNPY4RNPY1RMMEECE1
SCHEMBL2991505 0.90 OTC (0.42) OTCNPY4RNPY1RMMEECE1
SCHEMBL3098146 0.89 OTC (0.34) OTCNPY4RNPY1RMMEECE1
SCHEMBL3091575 0.88 OTC (0.37) OTCNPY4RNPY1RNPY2RNPY5R
SCHEMBL2992625 0.88 OTC (0.37) OTCNPY4RNPY1RNPY2RNPY5R
SCHEMBL27743692 0.86 OTC (0.38) OTCMMEECE1FNTAFNTB
SCHEMBL2985776 0.86 OTC (0.38) OTCMMEECE1FNTAFNTB
SCHEMBL3097987 0.84 ALOX15 (0.36) OTCNPY4RNPY1RNPY2RNPY5R
SCHEMBL2992620 0.82 OTC (0.47) OTCNPY4RNPY1RNPY2RNPY5R
SCHEMBL2992568 0.81 CYP2D6 (0.35) OTCNPY4RNPY1RNPY2RNPY5R

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