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SCHEMBL30838112

SCHEMBL30838112

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 18/20 0.53
▸ NPY1R P25929 10/20 0.53
▸ NPY5R Q15761 9/20 0.53
▸ NPY2R P49146 6/20 0.53
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL29419547 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL18647029 0.89 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL30838109 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL31074734 0.87 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29534175 0.87 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31074830 0.87 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29419494 0.86 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL30787894 0.85 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL18646659 0.84 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL7592909 0.84 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R

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
EP-3347369-B1 NOVEL COMPOUNDS WITH DUAL ACTIVITY YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2024-04-17 — — EP disclosed
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