SCHEMBL8733202

SCHEMBL8733202

[CH]CCc1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 1/20 0.47
PYCR1 P32322 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL4399626 0.85 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL8731016 0.84 TAAR1 (0.60) TAAR1IDO1AGXTMAOBPYCR1
SCHEMBL5240585 0.81 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL9660784 0.79 TAAR1 (0.65) TAAR1IDO1AGXTMAOBTDP1
SCHEMBL19524669 0.79 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL705920 0.79 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL30688447 0.79 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL235748 0.77 TAAR1 (1.00) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL1513555 0.77 TAAR1 (0.63) TAAR1IDO1AGXTMAOBPYCR1
SCHEMBL1646500 0.77 TAAR1 (0.63) TAAR1IDO1AGXTMAOBSMN1; SMN2

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