SCHEMBL13565352

SCHEMBL13565352

Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc(-c2ccco2)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.42
NPY5R Q15761 7/20 0.38
GLO1 Q04760 1/20 0.37
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34
APP P05067 1/20 0.34
GRIA4 P48058 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13565915 0.84 GLO1 (0.37) GLO1CKS1BSKP2APPLMNA
SCHEMBL10115463 0.84 ALDH1A1 (0.41) GRIA1LMNAALDH1A1
SCHEMBL11935694 0.80 ADORA2A (0.39) GLO1
SCHEMBL11941034 0.77 GRIA1 (0.46) GRIA1NPY5RGRIA4
SCHEMBL13566068 0.76 TP53 (0.39) GLO1CKS1BSKP2APPLMNA
SCHEMBL13565278 0.74 GRIA1 (0.43) GRIA1NPY5RGRIA4
SCHEMBL13565137 0.74 GRIA2 (0.33) NPY5RGLO1CKS1BSKP2GRIA4
SCHEMBL17090540 0.74 GRIA2 (0.33) NPY5RGLO1CKS1BSKP2GRIA4
SCHEMBL13565325 0.73 GRIA1 (0.47) GRIA1NPY5RGRIA4LMNAALDH1A1
SCHEMBL13565427 0.72 GRIA1 (0.40) GRIA1NPY5RLMNAALDH1A1

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed