SCHEMBL31534097

SCHEMBL31534097

N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 1/20 0.41
▸ OPRM1 P35372 5/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ OPRD1 P41143 4/20 0.40
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ CAPN1 P07384 3/20 0.40
▸ XIAP P98170 2/20 0.38
▸ MLX Q9UH92 1/20 0.37

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
SCHEMBL30038570 0.85 OPRM1 (0.51) OPRM1OPRD1
SCHEMBL30775497 0.85 DPP4 (0.56) DPP4ACERENXIAP
SCHEMBL29886892 0.84 OPRM1 (0.47) OPRM1DPP4OPRD1CAPN1XIAP
SCHEMBL29541526 0.83 ITGB3 (0.40) BDKRB2OPRM1OPRD1ACEREN
SCHEMBL30695570 0.83 ACE (0.44) ACEREN
SCHEMBL29615359 0.82 ACE (0.43) OPRM1DPP4ACERENXIAP
SCHEMBL29592210 0.82 CAPN1 (0.51) CAPN1XIAPMLX
SCHEMBL30123074 0.82 ACE (0.47) DPP4ACERENCAPN1
SCHEMBL29407980 0.81 CAPN1 (0.43) BDKRB2OPRM1OPRD1CAPN1
SCHEMBL30435869 0.80 ACE (0.56) DPP4ACEREN

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-2025058905-A1 SYNTHETIC BIOINK FORMULATIONS SIGMA-ALDRICH CO. LLC (US) 2025-03-20 — — WO disclosed
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