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Sugi Predict / Compounds / SCHEMBL30504289

SCHEMBL30504289

SCHEMBL30504289

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.61
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ F2 P00734 4/20 0.57
▸ APLNR P35414 1/20 0.55
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ NTSR1 P30989 3/20 0.53
▸ SLC6A2 P23975 1/20 0.51
▸ REN P00797 2/20 0.51
▸ NTSR2 O95665 2/20 0.51
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL29593091 0.86 F2 (0.58) CALCRCRHR1CRHR2F2APLNR
SCHEMBL30367722 0.86 OPRM1 (0.60) F2APLNRSLC6A2REN
SCHEMBL29793680 0.85 F2 (0.64) CALCRCRHR1CRHR2F2APLNR
SCHEMBL31206334 0.84 APLNR (0.59) CALCRF2APLNRNTSR1REN
SCHEMBL29510574 0.84 F2 (0.62) CALCRCRHR1CRHR2F2APLNR
SCHEMBL2448693 0.83 CALCR (0.71) CALCRCRHR1CRHR2F2APLNR
SCHEMBL31462343 0.83 CALCR (0.59) CALCRCRHR1CRHR2F2AGTR1
SCHEMBL29606993 0.83 REN (0.58) CALCRF2APLNRNTSR1SLC6A2
SCHEMBL9010601 0.83 LNPEP (0.64) F2AGTR1AGTR2NTSR1REN
SCHEMBL29524174 0.83 F2 (0.60) CALCRF2APLNRAGTR1AGTR2

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-113845572-B Polypeptide for promoting pig organism to generate broad-spectrum acquired immune response and application thereof 中国农业科学院兰州兽医研究所 2023-11-21 — — CN disclosed
CN-113845568-B Polypeptide for promoting pig organism to generate broad-spectrum acquired immune response and application thereof 中国农业科学院兰州兽医研究所 2023-08-18 — — CN disclosed
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