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SCHEMBL30354440

SCHEMBL30354440

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.57
▸ NPY1R P25929 9/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ NPY2R P49146 5/20 0.57
▸ TFPI P10646 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47

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
SCHEMBL31013834 1.00 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31301806 0.94 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31256982 0.94 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31013870 0.92 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30354443 0.92 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30354439 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31013860 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29492123 0.89 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29591917 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29376109 0.88 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RTFPI

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
CN-115947786-A Self-assembled short peptide with crystallization inducing capability and long-acting local anesthesia and antitumor drug prepared from self-assembled short peptide 四川大学华西医院 2023-04-11 — — CN disclosed
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