SCHEMBL8294305

SCHEMBL8294305

CN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.51
DPP4 P27487 2/20 0.47
OPRD1 P41143 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
F2 P00734 4/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL8294303 0.87 F2 (0.52) SLC7A5DPP4OPRD1HDAC8F2
SCHEMBL10435928 0.80 SLC7A5 (0.62) SLC7A5DPP4HDAC8TAAR1SLC6A2
Hydrochloric Acid SCHEMBL6165185 0.79 SLC7A5 (0.61) SLC7A5DPP4HDAC8TAAR1SLC6A2
Hydrochloric Acid SCHEMBL6165180 0.79 SLC7A5 (0.61) SLC7A5DPP4HDAC8TAAR1SLC6A2
SCHEMBL7983865 0.77 F2 (0.45) F2
SCHEMBL21319341 0.76 SLC7A5 (0.57) SLC7A5DPP4OPRD1HDAC8TAAR1
SCHEMBL25083941 0.75 SLC7A5 (0.56) SLC7A5HDAC8TAAR1SLC6A2
SCHEMBL2015826 0.74 SLC7A5 (0.59) SLC7A5DPP4OPRD1HDAC8TAAR1
SCHEMBL2015825 0.74 SLC7A5 (0.59) SLC7A5DPP4OPRD1HDAC8TAAR1
SCHEMBL30440024 0.74 SLC7A5 (0.58) SLC7A5OPRD1HDAC8TAAR1SLC6A2

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
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed