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SCHEMBL20715014

SCHEMBL20715014

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.58
▸ NPY1R P25929 9/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY2R P49146 5/20 0.58
▸ KISS1R Q969F8 4/20 0.48

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
SCHEMBL20715013 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL22010066 0.95 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20715010 0.95 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL22009523 0.95 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20715015 0.95 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20714938 0.94 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20714935 0.94 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20715043 0.93 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL14509088 0.91 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL14509067 0.91 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019027366-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-02-07 — — WO disclosed