SCHEMBL30163459

SCHEMBL30163459

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.59
▸ NPY1R P25929 7/20 0.59
▸ NPY2R P49146 5/20 0.59
▸ NPY5R Q15761 5/20 0.59
▸ KISS1R Q969F8 1/20 0.55
▸ FNTA P49354 3/20 0.54
▸ FNTB P49356 3/20 0.54
▸ PGGT1B P53609 3/20 0.54

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
SCHEMBL28091113 1.00 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL3386701 0.95 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29872147 0.94 FNTA (0.59) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL30045721 0.93 KISS1R (0.55) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30957020 0.93 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL13563450 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL3356931 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL3356923 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29666882 0.91 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30045696 0.91 FNTA (0.59) NPY4RNPY1RNPY2RNPY5RFNTA

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-20220338471-A1 HONEY BEE-SAFE ACARICIDAL COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-10-27 — — US disclosed
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