Sugi Predict

Sugi Predict / Compounds / SCHEMBL30688081

SCHEMBL30688081

SCHEMBL30688081

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)CCCCN)[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 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 9/20 0.60
▸ NTSR1 P30989 9/20 0.60
▸ SORT1 Q99523 8/20 0.60
▸ AGTR2 P50052 4/20 0.59
▸ AGTR1 P30556 3/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ ANPEP P15144 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54

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
SCHEMBL30688069 0.92 AGTR2 (0.58) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL29706255 0.91 MAPK8 (0.56) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL30688074 0.90 MAPK8 (0.58) AGTR2AGTR1
SCHEMBL29706447 0.90 SLC6A2 (0.56) NTSR2NTSR1SORT1AGTR2SLC6A2
SCHEMBL29706227 0.89 SLC6A2 (0.64) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL30574234 0.89 MAPK8 (0.59) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL30598184 0.88 OPRD1 (0.58) NTSR1
SCHEMBL29706151 0.88 OPRD1 (0.58) NTSR1
SCHEMBL29706314 0.87 CALCR (0.56) —
SCHEMBL30688071 0.86 NTSR1 (0.51) NTSR2NTSR1SORT1AGTR2AGTR1

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