SCHEMBL3356931

SCHEMBL3356931

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.64
NPY1R P25929 9/20 0.64
NPY5R Q15761 8/20 0.64
NPY2R P49146 5/20 0.64
KISS1R Q969F8 3/20 0.59

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
SCHEMBL3356923 1.00 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL13563450 1.00 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL13563451 0.95 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7785244 0.94 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL2196176 0.94 NPY4R (0.74) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29800344 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29652150 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20714935 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20714938 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30866590 0.93 NPY4R (0.56) 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
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 EP disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 WO disclosed