SCHEMBL1661328

SCHEMBL1661328

CN[C@@H](CCCNC(=N)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.37
NPY1R P25929 5/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TACR3 P29371 1/20 0.37
NPY2R P49146 3/20 0.37
NPY5R Q15761 3/20 0.37
CCKBR P32239 3/20 0.37
CCKAR P32238 1/20 0.36
ABCB1 P08183 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL1662044 0.91 NPY4R (0.38) NPY4RNPY1RTACR3NPY2RNPY5R
SCHEMBL1661928 0.90 CTSL (0.47) NPY4RNPY1RCTSLCTSBCTSS
SCHEMBL19252747 0.88 PTGER4 (0.45) NPY4RNPY1RCTSLNPY2RNPY5R
SCHEMBL1661320 0.87 GRIA1 (0.43) NPY4RNPY1RCTSLNPY2RNPY5R
SCHEMBL19252729 0.84 CTSL (0.47) CTSLCTSBCTSSCTSK
SCHEMBL1661064 0.81 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL13733975 0.80 NPY4R (0.35) NPY4RNPY1RTACR3NPY2RNPY5R
SCHEMBL13734168 0.79 CCKBR (0.34) NPY4RNPY1RTACR3NPY2RNPY5R
SCHEMBL1663151 0.78 CTSL (0.44) CTSLCTSBCTSSCTSKTACR3
SCHEMBL12793435 0.77 NPY4R (0.49) NPY4RNPY1RTACR3NPY2RNPY5R

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-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed