SCHEMBL30712845

SCHEMBL30712845

CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

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
ALB P02768 1/20 0.58
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
KISS1R Q969F8 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
SCHEMBL30712854 0.95 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RALB
SCHEMBL29968334 0.92 ALB (0.53) NPY4RNPY1RNPY5RNPY2RALB
SCHEMBL19656447 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL12792696 0.88 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13563464 0.88 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12792618 0.87 KISS1R (0.62) NPY4RNPY1RNPY5RNPY2RPTPN2
SCHEMBL13563435 0.87 KISS1R (0.62) NPY4RNPY1RNPY5RNPY2RPTPN2
SCHEMBL30712843 0.87 MC4R (0.60) NPY4RNPY1RNPY2RKISS1R
SCHEMBL20715014 0.86 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL20715013 0.86 NPY4R (0.58) 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-20240002438-A1 MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2024-01-04 US claimed
US-20240002438-A1 MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2024-01-04 US disclosed