SCHEMBL29888632

SCHEMBL29888632

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.59
▸ NPY1R P25929 11/20 0.59
▸ NPY5R Q15761 10/20 0.59
▸ NPY2R P49146 7/20 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
SCHEMBL29531964 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29872146 0.89 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31437162 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL14753920 0.89 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL24306611 0.88 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL17950964 0.88 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30213589 0.88 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30611008 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30371101 0.87 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30471796 0.87 NPY4R (0.52) 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
WO-2022133586-A1 METFORMIN PREVENTS HYPERGLYCAEMIA-ASSOCIATED, OXIDATIVE STRESS-INDUCED VASCULAR ENDOTHELIAL DYSFUNCTION: ESSENTIAL ROLE FOR THE ORPHAN NUCLEAR RECEPTOR, NR4A1 (NUR77) UTI LIMITED PARTNERSHIP (CA) 2022-06-30 — — WO disclosed
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