SCHEMBL16229800

SCHEMBL16229800

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.36
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GALR3 O60755 1/20 0.33
ALK Q9UM73 1/20 0.33
HTR6 P50406 3/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
ERBB2 P04626 2/20 0.32
ERBB4 Q15303 2/20 0.32
ADRB2 P07550 1/20 0.31
IGF1R P08069 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTGES O14684 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL16229772 0.93 AXL (0.37) SLC6A9AXLTYRO3MERTKGALR3
SCHEMBL16229806 0.91 DGAT1 (0.35) SLC6A9ALKHTR6ERBB2ERBB4
SCHEMBL16229798 0.90 HTR6 (0.36) SLC6A9HTR6HTR1AHTR7
SCHEMBL16229761 0.90 SLC6A9 (0.37) SLC6A9HTR6
SCHEMBL16229810 0.89 SLC6A9 (0.38) SLC6A9AXLTYRO3MERTKGALR3
SCHEMBL16784648 0.89 SLC6A9 (0.42) SLC6A9AXLTYRO3MERTKGALR3
SCHEMBL16229811 0.86 SLC6A9 (0.50) SLC6A9
SCHEMBL16784636 0.84 GALR3 (0.41) SLC6A9AXLTYRO3MERTKGALR3
SCHEMBL16229795 0.84 GALR3 (0.35) SLC6A9AXLTYRO3MERTKGALR3
SCHEMBL16229802 0.84 GALR3 (0.38) SLC6A9GALR3TRPV4

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 2 patents. 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
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed