SCHEMBL31287945

SCHEMBL31287945

CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.50
▸ FOLH1 Q04609 1/20 0.39
▸ NPY4R P50391 13/20 0.39
▸ NPY1R P25929 9/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL23802493 0.89 SIRT5 (0.45) GNPATNPY4RNPY1RNPY5RNPY2R
SCHEMBL18671823 0.88 NPY4R (0.39) GNPATFOLH1NPY4RNPY1RNPY5R
SCHEMBL31232977 0.87 GNPAT (0.51) GNPATFOLH1NPY4RNPY1RNPY5R
SCHEMBL25098291 0.87 NPY4R (0.40) GNPATNPY4RNPY1RNPY5RNPY2R
SCHEMBL30798042 0.86 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY5R
SCHEMBL29628247 0.86 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY5R
SCHEMBL31725231 0.85 GNPAT (0.54) GNPATNPY4RNPY1RNPY5RNPY2R
SCHEMBL18671023 0.85 TGFBR1 (0.41) GNPATNPY4RNPY1RNPY5RNPY2R
SCHEMBL31121647 0.85 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY5R
SCHEMBL29777415 0.85 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY5R

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
EP-4746912-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2026-05-27 — — EP disclosed
WO-2025021727-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES SIMRIS BIOLOGICS GMBH (DE) 2025-01-30 — — WO disclosed
EP-4494656-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2025-01-22 — — EP disclosed
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