SCHEMBL3089676

SCHEMBL3089676

O=P(O)(O)C=CCNCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
MC5R P33032 1/20 0.57
MC3R P41968 1/20 0.57
MC1R Q01726 1/20 0.57
G6PD P11413 1/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 1/20 0.51
HTT P42858 1/20 0.51
SIRT1 Q96EB6 1/20 0.51

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
SCHEMBL6039588 0.81 MC5R (0.69) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL2989714 0.80 MC5R (0.64) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL3082103 0.78 ALOX15 (0.57) KMT2AMEN1LMNATSHRBLM
SCHEMBL17232881 0.78 MC5R (0.83) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL3192984 0.78 HTR2A (0.62) HTR2AMC5RMC3RLMNACYP1A2
SCHEMBL10671627 0.77 MC5R (0.68) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL30094716 0.77 MC5R (0.68) HTR2AMC5RMC3RMC1RG6PD
Phosphoric Acid SCHEMBL28038796 0.77 MEN1 (0.62) HTR2AMC5RMC3RMC1RKMT2A
SCHEMBL3077869 0.77 HTR2A (0.51) HTR2AMC5RMC3RCYP1A2ALDH1A1
SCHEMBL12059084 0.76 HTR2A (0.65) HTR2AMC5RMC3RMC1RG6PD

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