SCHEMBL17090336

SCHEMBL17090336

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNCc2nccc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.41
NPY1R P25929 4/20 0.41
SSTR1 P30872 2/20 0.37
SSTR4 P31391 2/20 0.37
ACHE P22303 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL13564876 1.00 NPY5R (0.41) NPY5RNPY1RSSTR1SSTR4ACHE
SCHEMBL13565071 0.85 NPY5R (0.42) NPY5RNPY1RACHE
SCHEMBL13203843 0.84 NPY5R (0.47) NPY5RSSTR1SSTR4ADORA2AADORA1
SCHEMBL10113307 0.84 NPY5R (0.47) NPY5RSSTR1SSTR4ADORA2AADORA1
SCHEMBL13565399 0.83 NPY5R (0.59) NPY5RNPY1RSSTR4
SCHEMBL17090300 0.83 NPY5R (0.59) NPY5RNPY1RSSTR4
SCHEMBL17090333 0.82 NPY5R (0.57) NPY5RNPY1RSSTR4DRD2
SCHEMBL13564872 0.82 NPY5R (0.57) NPY5RNPY1RSSTR4DRD2
SCHEMBL11934877 0.77 ACHE (0.41) NPY5RNPY1RACHEADORA2AADORA1
SCHEMBL13438738 0.77 ACHE (0.41) NPY5RNPY1RACHEADORA2AADORA1

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 1 patent. 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