SCHEMBL16784635

SCHEMBL16784635

CN1C2C1C21Cc2cc(F)c(OCCNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
SLC6A9 P48067 9/20 0.35
KCNH2 Q12809 4/20 0.34
POLB P06746 2/20 0.32
LTA4H P09960 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
HRH1 P35367 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16784651 0.93 POLB (0.37) SCN9ASLC6A9KCNH2POLBHRH1
SCHEMBL16229805 0.91 SLC6A9 (0.38) SCN9ASLC6A9KCNH2HRH1
SCHEMBL16229812 0.90 SLC6A9 (0.39) SLC6A9
SCHEMBL16784624 0.88 SLC6A9 (0.46) SCN9ASLC6A9KCNH2POLBSMN1; SMN2
SCHEMBL16229750 0.87 SLC6A9 (0.46) SLC6A9KCNH2
SCHEMBL16229778 0.87 NR1D1 (0.33)
SCHEMBL16784638 0.85 LMNA (0.34) SLC6A9SMN1; SMN2
SCHEMBL16784640 0.84 SLC6A9 (0.41) SLC6A9KCNH2POLBSMN1; SMN2
SCHEMBL16229777 0.83 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL16784639 0.82 SLC6A9 (0.45) SLC6A9KCNH2

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