SCHEMBL30411494

SCHEMBL30411494

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.59
▸ NPY1R P25929 10/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY2R P49146 6/20 0.59
▸ CD40 P25942 2/20 0.53
▸ KEAP1 Q14145 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
SCHEMBL29429181 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30558178 0.94 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL29429195 0.94 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL29617288 0.94 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL30474555 0.93 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL29540161 0.93 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30335016 0.93 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30521958 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29512407 0.92 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL31280255 0.91 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119745834-A PEI and targeting peptide modified magnetic nano-carrier and preparation method and application thereof 东南大学 2025-04-04 — — CN claimed
CN-119745834-A PEI and targeting peptide modified magnetic nano-carrier and preparation method and application thereof 东南大学 2025-04-04 — — CN disclosed
CN-116173206-A Mesoporous nanocapsule for actively targeting non-small cell lung cancer spinal metastasis 复旦大学附属中山医院 2023-05-30 — — CN disclosed
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