SCHEMBL31415944

SCHEMBL31415944

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 12/20 0.46
▸ NTSR1 P30989 12/20 0.46
▸ SORT1 Q99523 11/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ APLNR P35414 1/20 0.42
▸ NMUR2 Q9GZQ4 1/20 0.42
▸ NMUR1 Q9HB89 1/20 0.42

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
SCHEMBL30385468 0.92 NRP1 (0.43) NTSR2NTSR1SORT1PLK1APLNR
SCHEMBL30329534 0.90 OPRM1 (0.41) NTSR2NTSR1SORT1PLK1NMUR2
SCHEMBL29788329 0.88 NTSR2 (0.51) NTSR2NTSR1SORT1KMT2A
SCHEMBL30141666 0.88 NAA50 (0.42) PLK1KMT2AAPLNR
SCHEMBL30745234 0.88 GRB2 (0.42) PLK1APLNRNMUR2NMUR1
SCHEMBL31489174 0.87 NMUR2 (0.46) PLK1APLNRNMUR2NMUR1
SCHEMBL29823805 0.87 RAMP3 (0.39) PLK1APLNR
SCHEMBL29781133 0.86 NAA50 (0.41) PLK1KMT2AAPLNRNMUR2NMUR1
SCHEMBL29379382 0.86 NTSR2 (0.48) NTSR2NTSR1SORT1PLK1NMUR2
SCHEMBL30658569 0.86 NMUR2 (0.40) PLK1APLNRNMUR2NMUR1

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-2025002590-A1 TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS UNIWERSYTET GDÁNSKI (PL) 2025-01-02 — — WO claimed
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