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Sugi Predict / Compounds / SCHEMBL30688074

SCHEMBL30688074

SCHEMBL30688074

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](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)[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 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EPHA2 P29317 2/20 0.54
▸ CALCR P30988 3/20 0.54
▸ NPY2R P49146 8/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 6/20 0.53
▸ AGTR2 P50052 2/20 0.52
▸ AGTR1 P30556 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
SCHEMBL29706187 0.97 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30688085 0.95 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30574234 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2NPY2R
SCHEMBL29706201 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL29706151 0.94 OPRD1 (0.58) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30598184 0.94 OPRD1 (0.58) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30688075 0.94 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL29706239 0.94 MAPK8 (0.59) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL29706255 0.93 MAPK8 (0.56) MAPK8MAPK9MAPK10AGTR2AGTR1
SCHEMBL30688076 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2CALCR

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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