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Sugi Predict / Compounds / SCHEMBL30688083

SCHEMBL30688083

SCHEMBL30688083

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](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ EPHA2 P29317 2/20 0.54
▸ IL23R Q5VWK5 1/20 0.52
▸ NMUR2 Q9GZQ4 3/20 0.49
▸ NMUR1 Q9HB89 3/20 0.49
▸ NTSR1 P30989 2/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ APLNR P35414 1/20 0.49
▸ AGTR2 P50052 2/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ F11 P03951 1/20 0.47
▸ CALCR P30988 2/20 0.47
▸ RAMP3 O60896 1/20 0.47

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 0.96 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2IL23R
SCHEMBL30688082 0.95 EPHA2 (0.59) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30688070 0.92 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30688080 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2IL23R
SCHEMBL29706466 0.90 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2IL23R
SCHEMBL30688069 0.89 AGTR2 (0.58) MAPK8MAPK9MAPK10EPHA2NTSR1
SCHEMBL30598157 0.89 MAPK8 (0.54) MAPK8MAPK9MAPK10IL23ROPRD1
SCHEMBL29706151 0.89 OPRD1 (0.58) MAPK8MAPK9MAPK10IL23RNTSR1
SCHEMBL30598184 0.89 OPRD1 (0.58) MAPK8MAPK9MAPK10IL23RNTSR1
SCHEMBL30688084 0.88 OXTR (0.51) MAPK8MAPK9MAPK10NTSR1NTSR2

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
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