SCHEMBL15324099

SCHEMBL15324099

NC(=O)COc1ccc2c(c1)C(Cc1cccc(C(F)(F)F)c1)C(N)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.58
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
PDGFRA P16234 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKX P51817 1/20 0.39
IKBKE Q14164 1/20 0.39

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
Hydrochloric Acid SCHEMBL3101428 0.99 SLC6A9 (0.57) SLC6A9MAOBKDM4ES1PR1S1PR5
SCHEMBL15324086 0.87 SLC6A9 (0.46) SLC6A9MAOB
Hydrochloric Acid SCHEMBL3099185 0.87 SLC6A9 (0.45) SLC6A9MAOB
SCHEMBL15324249 0.86 SLC6A9 (0.53) SLC6A9
SCHEMBL3094433 0.85 SLC6A9 (0.56) SLC6A9HTT
SCHEMBL15324105 0.85 SLC6A9 (0.62) SLC6A9MAOB
Hydrochloric Acid SCHEMBL3105970 0.85 SLC6A9 (0.52) SLC6A9
Hydrochloric Acid SCHEMBL3101438 0.85 SLC6A9 (0.61) SLC6A9MAOB
Hydrochloric Acid SCHEMBL3105797 0.85 SLC6A9 (0.55) SLC6A9HTT
SCHEMBL3101504 0.81 SLC6A9 (0.65) SLC6A9S1PR1S1PR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396296-B1 AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2016-05-25 EP claimed
US-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US claimed
US-8563617-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-22 US claimed