SCHEMBL2989714

SCHEMBL2989714

O=P(O)(O)CNCCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 1/20 0.64
MC3R P41968 1/20 0.64
MC1R Q01726 1/20 0.64
HTR2A P28223 2/20 0.62
G6PD P11413 1/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HTR1A P08908 1/20 0.57
HTT P42858 1/20 0.57
SIRT1 Q96EB6 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
SCHEMBL17232881 0.83 MC5R (0.83) MC5RMC3RMC1RHTR2AG6PD
Phosphoric Acid SCHEMBL28038796 0.82 MEN1 (0.62) MC5RMC3RMC1RHTR2AMEN1
SCHEMBL2993848 0.82 HTR2C (0.63) HTR2AMEN1KMT2ALMNACYP1A2
SCHEMBL7970552 0.81 MC5R (0.81) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL11344810 0.80 MC5R (0.73) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL7037221 0.80 MC5R (0.73) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL3101626 0.80 HTR2A (0.63) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL3089676 0.80 HTR2A (0.59) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL25029618 0.79 MC5R (0.71) MC5RMC3RMC1RHTR2AG6PD
SCHEMBL4017867 0.79 MC5R (0.71) MC5RMC3RMC1RHTR2AG6PD

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 19 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
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