SCHEMBL16784648

SCHEMBL16784648

CN1C2C1C21Cc2cc(F)c(OCCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.42
AXL P30530 2/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
HTR6 P50406 4/20 0.34
ALK Q9UM73 1/20 0.33
HTR1A P08908 6/20 0.33
HTR7 P34969 6/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD2 P14416 1/20 0.33
GALR3 O60755 1/20 0.33
IGF1R P08069 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL16229753 0.92 SLC6A9 (0.41) SLC6A9AXLMERTKHTR6ALK
SCHEMBL16784640 0.91 SLC6A9 (0.41) SLC6A9HTR6HTR1AHTR7HTR2A
SCHEMBL16229757 0.90 SLC6A9 (0.43) SLC6A9HTR6HTR1AHTR7DRD2
SCHEMBL16784632 0.90 SLC6A9 (0.52) SLC6A9AXLTYRO3MERTKHTR6
SCHEMBL16229800 0.89 SLC6A9 (0.36) SLC6A9AXLTYRO3MERTKHTR6
SCHEMBL16229791 0.88 SLC6A9 (0.55) SLC6A9
SCHEMBL16229772 0.87 AXL (0.37) SLC6A9AXLTYRO3MERTKALK
SCHEMBL16229812 0.86 SLC6A9 (0.39) SLC6A9AXLTYRO3MERTKHTR6
SCHEMBL16229787 0.85 SLC6A9 (0.39) SLC6A9AXLTYRO3MERTKHTR6
SCHEMBL16229810 0.85 SLC6A9 (0.38) SLC6A9AXLTYRO3MERTKHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed