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Sugi Predict / Compounds / SCHEMBL29463723

SCHEMBL29463723

SCHEMBL29463723

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.59
▸ AGTR1 P30556 2/20 0.59
▸ NTSR1 P30989 13/20 0.59
▸ NTSR2 O95665 12/20 0.59
▸ F2 P00734 2/20 0.58
▸ SORT1 Q99523 10/20 0.58
▸ CALCRL Q16602 1/20 0.56

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
SCHEMBL30969929 0.93 F2 (0.58) AGTR2AGTR1NTSR1NTSR2F2
SCHEMBL29580406 0.92 NTSR1 (0.63) NTSR1NTSR2F2SORT1
SCHEMBL30607406 0.92 NPY2R (0.61) NTSR1NTSR2F2CALCRL
SCHEMBL30637760 0.89 NTSR1 (0.64) AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL29860392 0.89 NTSR1 (0.64) AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL30648466 0.88 CALCR (0.59) NTSR1NTSR2SORT1
SCHEMBL29552077 0.88 AGTR2 (0.61) AGTR2AGTR1NTSR1NTSR2F2
SCHEMBL2039247 0.88 NTSR1 (0.69) NTSR1NTSR2SORT1
SCHEMBL30607402 0.88 NTSR1 (0.66) NTSR1NTSR2SORT1
SCHEMBL30584174 0.87 NTSR1 (0.66) NTSR1NTSR2SORT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111206017-B Serum-free culture medium for stem cells and application thereof 浙江大学 2022-02-18 — — CN claimed
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
CN-111206017-B Serum-free culture medium for stem cells and application thereof 浙江大学 2022-02-18 — — CN disclosed
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