SCHEMBL31410682

SCHEMBL31410682

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.46
NPY1R P25929 7/20 0.46
NPY2R P49146 5/20 0.46
NPY5R Q15761 5/20 0.46
KEAP1 Q14145 1/20 0.44
TFPI P10646 1/20 0.42

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
SCHEMBL30297059 0.91 IL23R (0.42) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31410639 0.90 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31303214 0.90 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL11833339 0.90 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL31410680 0.90 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30124571 0.89 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL30208666 0.89 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL8062296 0.89 KEAP1 (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL8062301 0.89 KEAP1 (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31343200 0.89 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RKEAP1

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
CN-119462820-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Gly-Gly as well as preparation and application thereof 首都医科大学 2025-02-18 CN disclosed
CN-119390755-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Val-Val, preparation and application thereof 首都医科大学 2025-02-07 CN disclosed