SCHEMBL16784651

SCHEMBL16784651

CN1C2C1C21Cc2cc(F)c(OCCNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SLC6A9 P48067 1/20 0.36
ADRA1D P25100 7/20 0.33
SCN9A Q15858 1/20 0.32
HTR1A P08908 4/20 0.31
HTR7 P34969 4/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
HTR6 P50406 2/20 0.31
HTR2C P28335 2/20 0.31
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL16784635 0.93 SCN9A (0.35) POLBSLC6A9SCN9AHRH1KCNH2
SCHEMBL16229805 0.92 SLC6A9 (0.38) SLC6A9ADRA1DSCN9AHTR1AHTR7
SCHEMBL16229812 0.91 SLC6A9 (0.39) SLC6A9HTR6
SCHEMBL16784639 0.89 SLC6A9 (0.45) SLC6A9ADRA1DHTR1AHTR7DRD2
SCHEMBL16784625 0.88 SLC6A9 (0.39) POLBSLC6A9ADRA1DSCN9AHTR1A
SCHEMBL16229754 0.87 RORC (0.32) POLBHTR2AHTR2C
SCHEMBL16229759 0.85 RORC (0.33) POLBHTR6
SCHEMBL16229753 0.85 SLC6A9 (0.41) POLBSLC6A9ADRA1DHTR1AHTR7
SCHEMBL16229773 0.84 SLC6A9 (0.45) SLC6A9KCNH2
SCHEMBL16229775 0.84 DGAT1 (0.36) SLC6A9

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