SCHEMBL31693563

SCHEMBL31693563

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.49
▸ CALCRL Q16602 4/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ REN P00797 3/20 0.41
▸ ACE P12821 3/20 0.41
▸ CTSB P07858 1/20 0.40
▸ F2R P25116 2/20 0.40
▸ PDCD1LG2 Q9BQ51 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL29434627 0.89 CAPN1 (0.51) CAPN1SLC6A2RENACECTSB
SCHEMBL30123074 0.86 ACE (0.47) CAPN1RENACEF2R
SCHEMBL29587503 0.86 CALCRL (0.58) CALCRLSLC6A2RENACE
SCHEMBL29666768 0.86 ACE (0.46) RENACE
SCHEMBL30272477 0.85 ACE (0.47) CAPN1RENACEF2R
SCHEMBL30997445 0.84 CAPN1 (0.48) CAPN1CALCRLSLC6A2RENACE
SCHEMBL30407242 0.84 CAPN1 (0.49) CAPN1CALCRLRENACECTSB
SCHEMBL29654687 0.84 CALCRL (0.40) CAPN1CALCRLSLC6A2RENACE
SCHEMBL30165187 0.83 F2R (0.47) CAPN1RENACEF2R
SCHEMBL9471485 0.83 ACE (0.48) RENACE

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-2025202114-A1 RADIOSENSITISING PEPTIDE COMPLEX GCS INSTITUT DE CANCEROLOGIE STRASBOURG EUROPE (FR) 2025-10-02 — — WO disclosed
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