SCHEMBL30593403

SCHEMBL30593403

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.55
▸ NTSR2 O95665 4/20 0.52
▸ NTSR1 P30989 4/20 0.52
▸ SORT1 Q99523 4/20 0.52
▸ OPRM1 P35372 1/20 0.51
▸ C5AR1 P21730 2/20 0.50
▸ CALCR P30988 4/20 0.49

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
SCHEMBL30620551 0.88 F2 (0.53) F2NTSR2NTSR1SORT1OPRM1
SCHEMBL29461549 0.87 F2 (0.60) F2OPRM1
SCHEMBL29655724 0.86 F2 (0.60) F2C5AR1
SCHEMBL31041697 0.86 F2 (0.48) F2OPRM1C5AR1CALCR
SCHEMBL31041761 0.86 CALCR (0.62) F2C5AR1CALCR
SCHEMBL32665685 0.85 F2 (0.52) F2OPRM1CALCR
SCHEMBL32691571 0.84 SLC6A2 (0.64) NTSR2NTSR1SORT1OPRM1C5AR1
SCHEMBL31127566 0.84 OPRM1 (0.60) F2OPRM1C5AR1
SCHEMBL32677430 0.84 C5AR1 (0.58) F2NTSR2NTSR1SORT1OPRM1
SCHEMBL31041755 0.83 CALCR (0.48) F2OPRM1C5AR1CALCR

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-116789746-A Anti-prostate cancer oligopeptide derived from cod fish protein and application thereof 浙江海洋大学 2023-09-22 — — CN claimed
CN-116789746-A Anti-prostate cancer oligopeptide derived from cod fish protein and application thereof 浙江海洋大学 2023-09-22 — — CN disclosed
CN-116789746-A Anti-prostate cancer oligopeptide derived from cod fish protein and application thereof 浙江海洋大学 2023-09-22 — — CN disclosed
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