SCHEMBL29710696

SCHEMBL29710696

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 3/20 0.47
▸ F2 P00734 4/20 0.46
▸ NPY2R P49146 7/20 0.46
▸ NPY4R P50391 7/20 0.46
▸ NPY5R Q15761 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ CALCR P30988 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
SCHEMBL30286103 0.83 CAPN1 (0.43) NTSR1NPY2RNPY4RNPY5RNPY1R
Larazotide SCHEMBL23668120 0.83 CAPN1 (0.43) NTSR1NPY2RNPY4RNPY5RNPY1R
Larazotide SCHEMBL28795844 0.83 CAPN1 (0.43) NTSR1NPY2RNPY4RNPY5RNPY1R
Larazotide SCHEMBL23668121 0.83 CAPN1 (0.43) NTSR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29407973 0.83 F2 (0.50) NTSR1F2NPY2RNPY4RNPY5R
SCHEMBL30432780 0.82 F2 (0.53) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31196712 0.82 NPY2R (0.53) NTSR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30978825 0.82 BACE1 (0.50) NTSR1F2NPY2RNPY4RNPY5R
SCHEMBL29387855 0.82 NPY2R (0.56) NTSR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31226869 0.82 NTSR1 (0.60) NTSR1F2NTSR2OPRD1

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-114053165-B Use of biologically active substances for producing a composition for improving the condition of the skin 大江生医股份有限公司 2023-10-20 — — CN disclosed
US-11400138-B2 Method for improving skin condition with bioactive compound TCI CO., LTD. (TW) 2022-08-02 — — US disclosed
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