SCHEMBL8731016

SCHEMBL8731016

[CH]CCCCCc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
PYCR1 P32322 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL19524669 0.90 TAAR1 (0.65) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL552962 0.85 TAAR1 (0.71) TAAR1IDO1AGXTSIGMAR1
SCHEMBL30444743 0.84 TAAR1 (0.59) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL28585404 0.84 TAAR1 (0.59) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL16203114 0.84 TAAR1 (0.59) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL8733202 0.84 TAAR1 (0.63) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL5240585 0.83 TAAR1 (0.68) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL6183551 0.82 TAAR1 (0.74) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL15810321 0.82 TAAR1 (0.57) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL30750234 0.82 TAAR1 (0.57) TAAR1IDO1AGXTSIGMAR1MAOB

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