SCHEMBL15323799

SCHEMBL15323799

COc1ccc(CC2c3cc(OCC(N)=O)ccc3CCC2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.50
ACHE P22303 1/20 0.42
MTNR1A P48039 4/20 0.42
NQO2 P16083 3/20 0.40
MTNR1B P49286 3/20 0.40

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 SCHEMBL3100039 0.99 SLC6A9 (0.49) SLC6A9ACHEMTNR1ANQO2MTNR1B
SCHEMBL15324039 0.89 SLC6A9 (0.54) SLC6A9ACHE
SCHEMBL15324249 0.89 SLC6A9 (0.53) SLC6A9
Hydrochloric Acid SCHEMBL3094137 0.88 SLC6A9 (0.53) SLC6A9ACHE
Hydrochloric Acid SCHEMBL3105970 0.88 SLC6A9 (0.52) SLC6A9
SCHEMBL3101504 0.85 SLC6A9 (0.65) SLC6A9
Hydrochloric Acid SCHEMBL3094693 0.85 SLC6A9 (0.64) SLC6A9ACHE
SCHEMBL15323801 0.84 SLC6A9 (0.55) SLC6A9
Hydrochloric Acid SCHEMBL3100047 0.83 SLC6A9 (0.54) SLC6A9
SCHEMBL3094433 0.82 SLC6A9 (0.56) 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 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