SCHEMBL3856002

SCHEMBL3856002

CC(=O)Oc1ccccc1CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.54
HTR2C P28335 9/20 0.52
HTR2B P41595 6/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTR2A P28223 4/20 0.48
PRCP P42785 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3855999 1.00 GID4 (0.54) GID4HTR2CHTR2BHPGDKDM4E
SCHEMBL30896915 0.81 HTR2C (0.54) GID4HTR2CHTR2BHPGDKDM4E
SCHEMBL7996650 0.81 GID4 (0.72) GID4HTR2CHTR2BHPGDKDM4E
SCHEMBL7996653 0.81 GID4 (0.72) GID4HTR2CHTR2BHPGDKDM4E
SCHEMBL18019717 0.79 PKM (0.57) GID4HTR2CHTR2BHPGDALDH1A1
SCHEMBL8304057 0.77 HTR2C (0.55) GID4HTR2CHTR2BKDM4E
SCHEMBL8304059 0.77 HTR2C (0.55) GID4HTR2CHTR2BKDM4E
SCHEMBL27818505 0.76 GID4 (0.56) GID4HTR2CHTR2B
SCHEMBL6509968 0.76 HTR2C (0.57) GID4HTR2CHTR2BKDM4E
SCHEMBL6510397 0.76 HTR2C (0.58) GID4HTR2CHTR2BKDM4EHTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 EP claimed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 EP claimed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 US claimed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO claimed
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 EP disclosed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 EP disclosed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 US disclosed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO disclosed