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SCHEMBL29375065

SCHEMBL29375065

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.44
▸ NPY1R P25929 6/20 0.44
▸ NPY2R P49146 4/20 0.44
▸ NPY5R Q15761 4/20 0.44
▸ FOLH1 Q04609 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 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
SCHEMBL9098532 0.95 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL9098515 0.95 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL29918949 0.94 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL29476458 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL31383412 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL29476640 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL6256584 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL5049227 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL6256602 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL29430281 0.94 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114010783-B Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof 大连理工大学 2022-10-18 — — CN claimed
CN-114010783-A Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof 大连理工大学 2022-02-08 — — CN claimed
CN-114010783-B Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof 大连理工大学 2022-10-18 — — CN disclosed
CN-114010783-A Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof 大连理工大学 2022-02-08 — — CN disclosed
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