SCHEMBL7528408

SCHEMBL7528408

COc1ccc(CC(N)N)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.73
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
LDHA P00338 1/20 0.57
IDO1 P14902 3/20 0.54
AGXT P21549 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL656814 0.86 SLC6A4 (0.73) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Para-Methoxyamphetamine SCHEMBL895775 0.84 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL394418 0.84 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL264634 0.84 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL10600560 0.84 CYP1A2 (0.65) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1049431 0.83 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL14044082 0.83 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10345906 0.83 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10506606 0.83 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10678215 0.83 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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
EP-1227785-A2 PROCESS FOR PRODUCING A HAIRDYE COMPOSITION Lion Corporation (JP) 2002-08-07 EP disclosed
EP-1189576-A2 HAIR COMPOSITION COMPRISING AN OXIDASE AND CYCLODEXTRIN Lion Corporation (JP) 2002-03-27 EP disclosed
EP-1187596-A2 HAIRDYE COMPOSITION COMPRISING INDOLINE AND/OR AN INDOLINE COMPOUND AND LACCASE Lion Corporation (JP) 2002-03-20 EP disclosed
WO-2001068042-A1 METHOD FOR DYEING DRY HAIR NOVOZYMES A/S (DK) 2001-09-20 WO disclosed
WO-2001000144-A2 HAIR COMPOSITION COMPRISING AN OXIDASE AND CYCLODEXTRIN LION CORPORATION (JP) 2001-01-04 WO disclosed
WO-2000078273-A2 PROCESS FOR PRODUCING A HAIRDYE COMPOSITION LION CORPORATION (JP) 2000-12-28 WO disclosed
WO-2000078274-A2 HAIRDYE COMPOSITION COMPRISING INDOLINE AND/OR AN INDOLINE COMPOUND AND LACCASE LION CORPORATION (JP) 2000-12-28 WO disclosed