SCHEMBL30978824

SCHEMBL30978824

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.52
▸ NPY2R P49146 7/20 0.52
▸ NPY4R P50391 7/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY1R P25929 6/20 0.52
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ KDM1A O60341 3/20 0.51
▸ F2 P00734 1/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ NMUR2 Q9GZQ4 2/20 0.49
▸ NMUR1 Q9HB89 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KDM5A P29375 1/20 0.49
▸ KDM1B Q8NB78 1/20 0.49

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
SCHEMBL31362664 0.92 KDM1A (0.59) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30978826 0.90 NPY2R (0.57) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29811013 0.85 F2 (0.57) EPHA2NTSR2NTSR1KDM1AF2
SCHEMBL31307276 0.84 NTSR1 (0.60) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL29710469 0.84 EPHA2 (0.58) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31362641 0.84 KDM1A (0.60) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL31229504 0.83 NTSR2 (0.59) NTSR2NTSR1
SCHEMBL29503865 0.82 EPHA2 (0.58) EPHA2NPY1RAGTR1AGTR2NMUR2
Metalnikowin I SCHEMBL31189141 0.82 NPY2R (0.53) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30597855 0.82 NTSR1 (0.55) NTSR2NTSR1

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
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
Send feedback