SCHEMBL17950964

SCHEMBL17950964

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.57
▸ NPY1R P25929 11/20 0.57
▸ NPY5R Q15761 10/20 0.57
▸ NPY2R P49146 7/20 0.57
▸ KISS1R Q969F8 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL24306611 1.00 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL27852310 0.95 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL27852306 0.95 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12035313 0.94 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12035277 0.91 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL14753920 0.91 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16045801 0.91 SIRT5 (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL15987249 0.91 SIRT5 (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30688769 0.90 ALDH1A1 (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30688768 0.90 ALDH1A1 (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R

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
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 — — US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 — — EP disclosed
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