SCHEMBL1660343

SCHEMBL1660343

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.64
NPY4R P50391 17/20 0.63
NPY1R P25929 10/20 0.63
NPY5R Q15761 9/20 0.63
NPY2R P49146 6/20 0.63

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
SCHEMBL1661018 1.00 CTSL (0.64) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL1661000 0.96 NPY4R (0.60) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL1661922 0.94 NPY4R (0.60) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL5929274 0.93 CTSL (0.73) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL17495215 0.92 NPY4R (0.56) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL14509093 0.92 CTSL (0.68) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL1663303 0.91 APC (0.61) CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL3381295 0.89 CTSL (0.64) CTSL
SCHEMBL17356289 0.88 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL17359203 0.88 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R

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
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 US disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed