SCHEMBL31490504

SCHEMBL31490504

CCCCNC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NMUR2 Q9GZQ4 4/20 0.49
▸ NMUR1 Q9HB89 4/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.47
▸ KISS1R Q969F8 3/20 0.47
▸ APLNR P35414 1/20 0.45
▸ BDKRB2 P30411 1/20 0.45
▸ CALCRL Q16602 2/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL31490515 0.93 MAPK8 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506914 0.91 MAPK8 (0.51) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506907 0.91 SLC6A2 (0.53) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29674936 0.90 SLC6A2 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506913 0.89 MAPK8 (0.50) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29726955 0.88 SLC6A2 (0.55) NMUR2NMUR1SLC6A2BDKRB2CALCRL
SCHEMBL29601373 0.88 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL30856561 0.87 MAPK8 (0.46) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506912 0.87 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049835 0.86 MAPK8 (0.48) MAPK8MAPK9MAPK10NMUR2NMUR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 — — WO disclosed
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