SCHEMBL8729248

SCHEMBL8729248

[CH]CCc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
AOC3 Q16853 1/20 0.50
IDO1 P14902 2/20 0.46
MPO P05164 3/20 0.44
LMNA P02545 1/20 0.42
MAOB P27338 3/20 0.42
DAO P14920 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8526001 0.84 TAAR1 (0.75) TAAR1AOC3IDO1MPOLMNA
SCHEMBL8733189 0.79
SCHEMBL30660239 0.79 TAAR1 (0.68) TAAR1AOC3IDO1MPOLMNA
SCHEMBL29401035 0.77 TAAR1 (1.00) TAAR1AOC3IDO1MPOMAOB
SCHEMBL158935 0.77 TAAR1 (1.00) TAAR1AOC3IDO1MPOMAOB
SCHEMBL575058 0.77 TAAR1 (0.73) TAAR1AOC3IDO1MPOLMNA
Ethyne SCHEMBL27645780 0.76 TAAR1 (0.58) TAAR1AOC3IDO1MPOLMNA
SCHEMBL5609925 0.75 TAAR1 (0.62) TAAR1AOC3IDO1MPOLMNA
SCHEMBL17552672 0.75 TAAR1 (0.62) TAAR1AOC3IDO1MPOLMNA
SCHEMBL840509 0.75 TAAR1 (0.62) TAAR1AOC3IDO1MPOLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
CN-1034864-C Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1997-05-14 CN disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
CN-1069728-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1993-03-10 CN disclosed