SCHEMBL16229787

SCHEMBL16229787

CN1C2C1C21Cc2cc(F)c(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.39
GALR3 O60755 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTR6 P50406 2/20 0.34
TRPV4 Q9HBA0 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CARM1 Q86X55 2/20 0.31
PRMT6 Q96LA8 2/20 0.31
AXL P30530 2/20 0.31
SCN9A Q15858 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 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
SCHEMBL16784625 0.91 SLC6A9 (0.39) SLC6A9KCNH2HTR6SCN9A
SCHEMBL16784624 0.90 SLC6A9 (0.46) SLC6A9KCNH2SCN9A
SCHEMBL16229765 0.90 SLC6A9 (0.38) SLC6A9KCNH2HTR6
SCHEMBL16229812 0.89 SLC6A9 (0.39) SLC6A9GALR3HTR6TRPV4NPSR1
SCHEMBL16229781 0.88 SLC6A9 (0.49) SLC6A9GALR3KCNH2
SCHEMBL16229802 0.87 GALR3 (0.38) SLC6A9GALR3TRPV4CARM1PRMT6
SCHEMBL16784643 0.86 GALR3 (0.43) SLC6A9GALR3TRPV4CARM1PRMT6
SCHEMBL16784648 0.85 SLC6A9 (0.42) SLC6A9GALR3HTR6AXLTYRO3
SCHEMBL16229791 0.84 SLC6A9 (0.55) SLC6A9KCNH2L3MBTL1
SCHEMBL16229808 0.84 GALR3 (0.42) SLC6A9GALR3KCNH2TRPV4CARM1

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