SCHEMBL3077869

SCHEMBL3077869

O=P(O)(O)C=CCN(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.51
HTR1A P08908 4/20 0.51
HTR2C P28335 4/20 0.51
HTR6 P50406 4/20 0.51
HTR2B P41595 3/20 0.51
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1B P35368 2/20 0.51
HTR1D P28221 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.51
HTR1E P28566 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR1B P28222 2/20 0.50

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
SCHEMBL3192984 0.89 HTR2A (0.62) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL2992642 0.81 HTR2A (0.56) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL30183299 0.79 HTR2A (0.74) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL3089676 0.77 HTR2A (0.59) HTR2AHTR1ACYP1A2MC5RMC3R
N,N-Dimethyltryptamine SCHEMBL27657713 0.75 HTR1A (0.82) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL29017882 0.74 HTR1A (0.72) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL3218485 0.74 SMN1; SMN2 (0.52) MPOPMP22
SCHEMBL28037067 0.74 HTR2A (0.66) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL2987361 0.74 HTR1A (0.62) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL6933897 0.74 HTR2A (0.70) HTR2AHTR1AHTR2CHTR6HTR2B

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 7 patents. 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 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