SCHEMBL16229786

SCHEMBL16229786

CN1C2C1C21Cc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.51
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.45
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL16229797 0.93 SLC6A9 (0.53) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229801 0.90 SLC6A9 (0.51) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229803 0.89 SLC6A9 (0.48) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229751 0.89 SLC6A9 (0.60) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229796 0.88 SLC6A9 (0.51) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229793 0.88 SLC6A9 (0.68) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16784636 0.85 GALR3 (0.41) SLC6A9LMNAGALR3ALDH1A1TRPV4
SCHEMBL16229811 0.85 SLC6A9 (0.50) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229791 0.84 SLC6A9 (0.55) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16784644 0.83 GALR3 (0.47) SLC6A9GALR3ALDH1A1TRPV4

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