SCHEMBL1661928

SCHEMBL1661928

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
NPY4R P50391 6/20 0.41
TGM2 P21980 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
OPRK1 P41145 1/20 0.41
NPY1R P25929 3/20 0.40
NPY2R P49146 2/20 0.40
NPY5R Q15761 2/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL19252729 0.94 CTSL (0.47) CTSLCTSBCTSSCTSKSIRT2
SCHEMBL1661320 0.91 GRIA1 (0.43) CTSLNPY4ROPRK1NPY1RNPY2R
SCHEMBL1661328 0.90 NPY4R (0.37) CTSLCTSBCTSSCTSKNPY4R
SCHEMBL1662044 0.86 NPY4R (0.38) NPY4ROPRK1NPY1RNPY2RNPY5R
SCHEMBL19252747 0.81 PTGER4 (0.45) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL17495217 0.81 NPY4R (0.42) NPY4ROPRK1NPY1RNPY2RNPY5R
SCHEMBL1662059 0.79 CTSL (0.54) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL1661064 0.79 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL13733975 0.78 NPY4R (0.35) NPY4ROPRK1NPY1RNPY2RNPY5R
SCHEMBL12794620 0.78 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R

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