SCHEMBL2993848

SCHEMBL2993848

O=P(O)(O)CNCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.63
KDM4E B2RXH2 3/20 0.63
CYP2D6 P10635 3/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SPR P35270 5/20 0.61
NPSR1 Q6W5P4 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
IDO1 P14902 1/20 0.61
BLM P54132 1/20 0.61
NOTUM Q6P988 1/20 0.61
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
TRPV1 Q8NER1 3/20 0.57
PTGS1 P23219 3/20 0.57
PTGS2 P35354 2/20 0.57

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
SCHEMBL3098256 0.83 HTR2C (0.58) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL2989714 0.82 MC5R (0.64) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL15920450 0.81 HTR2C (0.74) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL28672341 0.81 HTR2C (0.70) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL14614196 0.80 HTR2C (0.68) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL14907356 0.80 HTR2C (0.72) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL27788551 0.79 HTR2C (0.75) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL3080644 0.78 HTR2C (0.55) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL1127784 0.77 HTR2C (1.00) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL29471374 0.77 HTR2C (1.00) HTR2CKDM4ECYP2D6MEN1KMT2A

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 17 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
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US claimed
JP-2009526755-A 2009-07-23 JP 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
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