SCHEMBL2992568

SCHEMBL2992568

CCOC(=O)C(CCCNC(=N)N)NCP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CAD P27708 1/20 0.34
NPY4R P50391 5/20 0.33
NPY1R P25929 3/20 0.33
KMT2A Q03164 2/20 0.33
OTC P00480 1/20 0.33
POLB P06746 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
S1PR2 O95136 2/20 0.30
S1PR1 P21453 2/20 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
SCHEMBL2992570 1.00 CYP2D6 (0.35) CYP2D6CYP2C9CYP2C19CADNPY4R
SCHEMBL8017621 0.85 CAD (0.38) CADNPY4RNPY1RKMT2APOLB
SCHEMBL3091575 0.84 OTC (0.37) NPY4RNPY1RKMT2AOTCCA12
SCHEMBL2992625 0.84 OTC (0.37) NPY4RNPY1RKMT2AOTCCA12
SCHEMBL2991514 0.82 OTC (0.42) NPY4RNPY1RKMT2AOTCFNTA
SCHEMBL2991505 0.82 OTC (0.42) NPY4RNPY1RKMT2AOTCFNTA
SCHEMBL368705 0.82 DPP7 (0.40) NOD1
SCHEMBL3098146 0.82 OTC (0.34) NPY4RNPY1ROTCFNTAFNTB
SCHEMBL3108933 0.81 OTC (0.35) NPY4RNPY1RKMT2AOTCFNTA
SCHEMBL27481242 0.81 CAD (0.39) CADNPY4RNPY1RKMT2APOLB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
JP-2009526755-A 2009-07-23 JP claimed
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US claimed
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed