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Sugi Predict / Compounds / SCHEMBL30904643

SCHEMBL30904643

SCHEMBL30904643

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 15/20 0.52
▸ CALCR P30988 15/20 0.52
▸ PLK1 P53350 1/20 0.51
▸ NMUR2 Q9GZQ4 3/20 0.46
▸ NMUR1 Q9HB89 3/20 0.46

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
SCHEMBL30211026 0.98 PLK1 (0.52) RAMP3CALCRPLK1NMUR2NMUR1
SCHEMBL30211011 0.94 PLK1 (0.52) RAMP3CALCRPLK1NMUR2NMUR1
SCHEMBL30211041 0.90 NMUR2 (0.53) RAMP3CALCRPLK1NMUR2NMUR1
SCHEMBL30211030 0.90 NMUR2 (0.53) RAMP3CALCRPLK1NMUR2NMUR1
SCHEMBL5578209 0.89 RAMP3 (0.59) RAMP3CALCRNMUR2NMUR1
SCHEMBL5578210 0.89 RAMP3 (0.59) RAMP3CALCRNMUR2NMUR1
SCHEMBL5311106 0.89 RAMP3 (0.57) RAMP3CALCRNMUR2NMUR1
SCHEMBL5311116 0.89 RAMP3 (0.57) RAMP3CALCRNMUR2NMUR1
SCHEMBL30262325 0.89 RAMP3 (0.51) RAMP3CALCRPLK1NMUR2NMUR1
SCHEMBL29736175 0.87 RAMP3 (0.58) RAMP3CALCRNMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924419-A Affinity peptide of targeted EGF receptor 2 and application thereof 中国药科大学 2024-04-26 — — CN claimed
CN-117924419-A Affinity peptide of targeted EGF receptor 2 and application thereof 中国药科大学 2024-04-26 — — CN disclosed