SCHEMBL15324316

SCHEMBL15324316

CNC1CCc2ccc(CCC(N)=O)cc2C1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.48
TRPV1 Q8NER1 3/20 0.41
NPY5R Q15761 1/20 0.37
PDE4B Q07343 1/20 0.36
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
GLA P06280 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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 SCHEMBL3105742 0.99 SLC6A9 (0.47) SLC6A9TRPV1NPY5RPDE4BPLAAT3
SCHEMBL3099970 0.90 SLC6A9 (0.49) SLC6A9TRPV1NPY5RPDE4B
SCHEMBL3099975 0.87 SLC6A9 (0.49) SLC6A9TRPV1NPY5RTAAR1
SCHEMBL15324304 0.86 SLC6A9 (0.46) SLC6A9TRPV1PDE4B
SCHEMBL15324320 0.85 SLC6A9 (0.48) SLC6A9TRPV1NPY5RTAAR1
Hydrochloric Acid SCHEMBL3092876 0.85 SLC6A9 (0.45) SLC6A9TRPV1PDE4B
Hydrochloric Acid SCHEMBL3105749 0.84 SLC6A9 (0.47) SLC6A9TRPV1NPY5RTAAR1
SCHEMBL15324092 0.79 SLC6A9 (0.41) SLC6A9TRPV1NPY5RFFAR1
SCHEMBL7898852 0.79 SLC6A9 (0.67) SLC6A9TRPV1NPY5RTAAR1
Hydrochloric Acid SCHEMBL3100983 0.79 SLC6A9 (0.40) SLC6A9TRPV1NPY5RFFAR1

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