SCHEMBL30379247

SCHEMBL30379247

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.41
▸ NPY4R P50391 7/20 0.39
▸ NPY1R P25929 5/20 0.39
▸ NPY2R P49146 4/20 0.39
▸ NPY5R Q15761 4/20 0.39
▸ ACE P12821 4/20 0.38
▸ NAA50 Q9GZZ1 1/20 0.37
▸ APLNR P35414 1/20 0.36
▸ ACE2 Q9BYF1 2/20 0.36

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
SCHEMBL31257058 0.94 PLK1 (0.40) PLK1ACENAA50APLNRACE2
SCHEMBL29727257 0.92 ACE (0.41) ACE
SCHEMBL31593372 0.91 MEN1 (0.39) ACE
SCHEMBL31593272 0.91 PLK1 (0.38) PLK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30063006 0.89 PLK1 (0.41) PLK1APLNR
SCHEMBL31165891 0.88 NRP1 (0.41) PLK1APLNR
SCHEMBL31468804 0.88 NAA50 (0.36) PLK1ACENAA50APLNRACE2
SCHEMBL29408366 0.87 APLNR (0.41) PLK1ACEAPLNR
SCHEMBL30658573 0.86 NMUR2 (0.43) PLK1
SCHEMBL30385468 0.86 NRP1 (0.43) PLK1APLNR

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-115702002-A Improved peptide vaccines 朝途生物疗法株式会社 2023-02-14 — — CN disclosed
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