Sugi Predict

Sugi Predict / Compounds / SCHEMBL30688069

SCHEMBL30688069

SCHEMBL30688069

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 4/20 0.58
▸ AGTR1 P30556 3/20 0.58
▸ SLC6A2 P23975 1/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ NTSR2 O95665 10/20 0.56
▸ NTSR1 P30989 10/20 0.56
▸ SORT1 Q99523 10/20 0.56
▸ EPHA2 P29317 1/20 0.52
▸ ANPEP P15144 1/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.52

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
SCHEMBL30688077 0.93 MAPK8 (0.59) AGTR2AGTR1SLC6A2MAPK8MAPK9
SCHEMBL29706255 0.93 MAPK8 (0.56) AGTR2AGTR1MAPK8MAPK9MAPK10
SCHEMBL30688085 0.93 MAPK8 (0.60) AGTR2AGTR1MAPK8MAPK9MAPK10
SCHEMBL30688074 0.93 MAPK8 (0.58) AGTR2AGTR1MAPK8MAPK9MAPK10
SCHEMBL30688081 0.92 NTSR2 (0.60) AGTR2AGTR1SLC6A2NTSR2NTSR1
SCHEMBL29706203 0.92 MAPK8 (0.56) AGTR2AGTR1SLC6A2MAPK8MAPK9
SCHEMBL30574234 0.91 MAPK8 (0.59) AGTR2AGTR1MAPK8MAPK9MAPK10
SCHEMBL30688075 0.91 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2
SCHEMBL29706151 0.91 OPRD1 (0.58) MAPK8MAPK9MAPK10NTSR1
SCHEMBL30598184 0.91 OPRD1 (0.58) MAPK8MAPK9MAPK10NTSR1

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-118946593-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2024-11-12 — — CN disclosed
CN-117186237-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2023-12-08 — — CN disclosed
WO-2023231969-A1 INSULIN HYBRID PEPTIDE COMPRISING CHYMOTRYPSIN INHIBITORY PEPTIDE, AND USE THEREOF 中国医学科学院药物研究所 2023-12-07 — — WO disclosed
Send feedback