SCHEMBL29414545

SCHEMBL29414545

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 16/20 0.84
▸ SSTR5 P35346 15/20 0.84
▸ SSTR4 P31391 9/20 0.84
▸ SSTR3 P32745 9/20 0.84
▸ SSTR1 P30872 3/20 0.75

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
SCHEMBL21099762 0.96 SSTR2 (0.78) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL29405608 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL31632623 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL4826 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL6369050 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL30163296 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL18712687 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL4827 0.95 SSTR2 (0.81) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL30044563 0.94 SSTR2 (0.82) SSTR2SSTR5SSTR4SSTR3SSTR1
Vapreotide SCHEMBL294911 0.94 SSTR2 (0.80) SSTR2SSTR5SSTR4SSTR3SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251213-A1 STABLE FORMULATIONS FOR RADIONUCLIDE COMPLEXES ITM Solucin GmbH (DE) 2023-10-04 — — EP disclosed
EP-4065176-A1 COMBINATION OF PARA-AMINOHIPPURIC ACID (PAH) AND RADIOLABELED COMPLEXES FOR TREATING CANCER ITM Isotope Technologies Munich SE (DE) 2022-10-05 — — EP disclosed
WO-2022112323-A1 STABLE FORMULATIONS FOR RADIONUCLIDE COMPLEXES ITM SOLUCIN GMBH (DE) 2022-06-02 — — WO disclosed
WO-2022111800-A1 STABLE FORMULATIONS FOR RADIONUCLIDE COMPLEXES ITM SOLUCIN GMBH (DE) 2022-06-02 — — WO disclosed
WO-2022096103-A1 COMBINATION OF PARA-AMINOHIPPURIC ACID (PAH) AND RADIOLABELED COMPLEXES FOR TREATING CANCER ITM Isotopen Technologien München AG (DE) 2022-05-12 — — WO disclosed
WO-2022096673-A1 COMBINATION OF PARA-AMINOHIPPURIC ACID (PAH) AND RADIOLABELED COMPLEXES FOR TREATING CANCER ITM Isotopen Technologien München AG (DE) 2022-05-12 — — WO disclosed
EP-3965751-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotope Technologies Munich SE (DE) 2022-03-16 — — EP disclosed
Send feedback