SCHEMBL30978825

SCHEMBL30978825

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.50
▸ CTSD P07339 2/20 0.50
▸ NMUR2 Q9GZQ4 5/20 0.47
▸ NMUR1 Q9HB89 4/20 0.47
▸ F2 P00734 4/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ RAMP3 O60896 3/20 0.46
▸ CALCR P30988 3/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45

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
SCHEMBL30009448 0.88 BACE1 (0.50) BACE1CTSDKEAP1RAMP3CALCR
SCHEMBL31151696 0.87 F2 (0.46) NMUR2NMUR1F2KEAP1RAMP3
SCHEMBL30978823 0.87 F2 (0.58) F2RAMP3CALCR
SCHEMBL30401916 0.87 NPY2R (0.52) CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29479866 0.86 NPY2R (0.51) RAMP3CALCRNPY1RNPY2RNPY4R
SCHEMBL30495783 0.86 EP300 (0.48) BACE1CTSDKEAP1RAMP3CALCR
SCHEMBL30401788 0.85 NPY2R (0.52) CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30432780 0.85 F2 (0.53) F2CALCRNPY1RNPY2RNPY4R
SCHEMBL30420755 0.85 CALCRL (0.47) BACE1CTSDNMUR2NMUR1KEAP1
SCHEMBL30608602 0.85 NAA50 (0.48) NMUR2NMUR1KEAP1NTSR2NTSR1

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-118063583-A Casein antibacterial peptide or composition and application thereof 中国科学院大连化学物理研究所 2024-05-24 — — CN claimed
CN-118063583-A Casein antibacterial peptide or composition and application thereof 中国科学院大连化学物理研究所 2024-05-24 — — CN disclosed
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