SCHEMBL30863402

SCHEMBL30863402

CN[C@@H](C)C(=O)N1CC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PEPD P12955 2/20 0.33
▸ XPNPEP1 Q9NQW7 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FKBP1A P62942 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ CTSK P43235 2/20 0.31

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
SCHEMBL30406562 0.79 KLK5 (0.46) PEPDXPNPEP1POLBHSD17B10PREP
SCHEMBL30517412 0.78 ACE (0.47) PEPDMAPTRAB9AHSD17B10
SCHEMBL10779423 0.76 ACE (0.43) PEPDXPNPEP1MAPTHSD17B10
SCHEMBL6234399 0.76 HSD17B10 (0.39) HRH3MAPK1FKBP1AHSD17B10PREP
SCHEMBL7328713 0.76 HSD17B10 (0.49) NPC1HSD17B10
SCHEMBL17955686 0.76 HSD17B10 (0.44) HRH3PEPDXPNPEP1MAPTPOLB
SCHEMBL10779336 0.75 ACE (0.42) PEPDXPNPEP1MAPTHSD17B10KLK5
SCHEMBL10768669 0.73 HSD17B10 (0.42) HRH3PEPDXPNPEP1NPC1MAPT
SCHEMBL7323258 0.73 DPP4 (0.50) HRH3PEPDXPNPEP1MAPTHSD17B10
SCHEMBL7270677 0.73 HSD17B10 (0.42) HRH3PEPDXPNPEP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570813-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-06-18 — — EP disclosed
WO-2024080333-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2024-04-18 — — WO disclosed
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