SCHEMBL2992667

SCHEMBL2992667

O=P(O)(O)CN(CCc1c[nH]c2ccc(O)cc12)CP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.67
HTR2C P28335 6/20 0.63
HTR2A P28223 4/20 0.63
HTR1A P08908 3/20 0.63
SLC6A4 P31645 2/20 0.63
CYP2D6 P10635 4/20 0.56
HTR2B P41595 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP1A2 P05177 3/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
DRD1 P21728 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1E P28566 1/20 0.56
HTR1F P30939 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL2987361 0.82 HTR1A (0.62) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL23069123 0.81 HTR1D (1.00) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL8891077 0.80 HTR1D (1.00) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL29355422 0.80 HTR1D (1.00) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL3209322 0.78 HTR2C (0.55) HTR1DHTR2CHTR2AHTR1ASLC6A4
Bufotenine SCHEMBL518028 0.77 HTR2C (1.00) HTR1DHTR2CHTR2AHTR1ASLC6A4
Bufotenine SCHEMBL29353068 0.77 HTR2C (1.00) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL25057123 0.77 HTR1D (0.71) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL23069118 0.77 HTR2C (0.72) HTR1DHTR2CHTR2AHTR1ASLC6A4
SCHEMBL24243759 0.77 HTR1D (0.90) HTR1DHTR2CHTR2AHTR1ASLC6A4

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 14 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
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
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed