SCHEMBL29493518

SCHEMBL29493518

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 2/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ NPBWR1 P48145 4/20 0.55
▸ KISS1R Q969F8 8/20 0.55
▸ GHSR Q92847 3/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ NPY4R P50391 1/20 0.53

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
SCHEMBL30480905 0.97 PTH1R (0.56) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30629650 0.97 PTH1R (0.56) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30093043 0.95 PCSK9 (0.54) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30130583 0.95 PCSK9 (0.54) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30130534 0.95 PCSK9 (0.54) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30130544 0.95 PCSK9 (0.54) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30093025 0.94 EDNRA (0.55) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30052890 0.93 KISS1R (0.60) PTH1RNPBWR1KISS1RIL23R
SCHEMBL30092944 0.93 RXFP1 (0.57) PTH1RKEAP1NPBWR1KISS1RGHSR
SCHEMBL30420626 0.93 KISS1R (0.55) PTH1RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409737-B Novel antitumor peptide and application thereof 南阳师范学院 2023-04-25 — — CN disclosed
CN-114409737-B Novel antitumor peptide and application thereof 南阳师范学院 2023-04-25 — — CN disclosed
CN-114409737-A Novel anti-tumor peptide and application thereof 南阳师范学院 2022-04-29 — — CN disclosed
CN-114409737-A Novel anti-tumor peptide and application thereof 南阳师范学院 2022-04-29 — — CN disclosed
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