SCHEMBL12526786

SCHEMBL12526786

CC(C)CC(NC(C)C)C(=O)NC(C=O)CCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.43
▸ NPY1R P25929 11/20 0.43
▸ NPY5R Q15761 10/20 0.43
▸ NPY2R P49146 7/20 0.43
▸ CTSK P43235 1/20 0.38

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
SCHEMBL3308386 0.88 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RCTSK
SCHEMBL30643187 0.88 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RCTSK
Leupeptin SCHEMBL583830 0.87 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
Leupeptin SCHEMBL11021602 0.87 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
Leupeptin SCHEMBL4669504 0.87 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
Leupeptin SCHEMBL13933715 0.87 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1818349 0.86 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13724544 0.86 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
Leupeptin SCHEMBL11596919 0.86 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11137940 0.85 NPY4R (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968516-B2 Taurine, cysteic acid residue and residue of a protease or calpain inhibitor; directly, indirectly bonded to each other;leucyl argininal residues in form of aldehyde; effective to inhibit calpains; acetal prodrug residues can be converted to the aldehyde form before, during, or after administration ProTor Pharma Corporation (US) 2011-06-28 — — US disclosed
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