SCHEMBL31327461

SCHEMBL31327461

CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 2/20 0.54
▸ ACE2 Q9BYF1 2/20 0.47
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ BDKRB2 P30411 2/20 0.42
▸ ACE P12821 1/20 0.42
▸ F2 P00734 1/20 0.41

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
SCHEMBL20626228 0.90 VHL (0.52) VHLACE2OPRM1OPRD1BDKRB2
Rotigaptide SCHEMBL29359046 0.86 VHL (0.49) VHLOPRM1OPRD1BDKRB2
Rotigaptide SCHEMBL20547994 0.86 VHL (0.49) VHLOPRM1OPRD1BDKRB2
Rotigaptide SCHEMBL20547993 0.86 VHL (0.49) VHLOPRM1OPRD1BDKRB2
SCHEMBL16925996 0.80 VHL (0.47) VHLOPRM1OPRD1BDKRB2
SCHEMBL19381802 0.80 VHL (0.47) VHLOPRM1OPRD1BDKRB2
SCHEMBL29373854 0.79 ACE (0.62) ACE2OPRM1ACE
SCHEMBL29546278 0.77 OPRM1 (0.70) OPRM1OPRD1
SCHEMBL29466604 0.77 OPRM1 (0.70) OPRM1OPRD1
SCHEMBL10624291 0.77 VHL (0.42) VHLOPRD1BDKRB2ACEF2

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-4739309-A1 DANEGAPTIDE FOR USE IN TREATING SYNUCLEINOPATHIES Cambridge Enterprise Limited (GB) 2026-05-13 — — EP disclosed
WO-2025008625-A1 DANEGAPTIDE FOR USE IN TREATING SYNUCLEINOPATHIES CAMBRIDGE ENTERPRISE LIMITED (GB) 2025-01-09 — — WO disclosed
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