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SCHEMBL30522316

SCHEMBL30522316

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.58
▸ NPY1R P25929 10/20 0.58
▸ NPY5R Q15761 9/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ TFPI P10646 1/20 0.52
▸ QRFPR Q96P65 1/20 0.52

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
SCHEMBL31277748 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30522315 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30601532 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30618025 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL3870837 0.93 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29959071 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29959017 0.92 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31462067 0.90 QRFPR (0.58) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30471426 0.90 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3217498 0.90 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RTFPI

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-116987149-A Polypeptide with anti-mycobacterium tuberculosis activity, preparation method and application thereof 南京农业大学 2023-11-03 — — CN disclosed
CN-116535470-A Polypeptide with anti-mycobacterium tuberculosis activity, preparation method and application thereof 南京农业大学 2023-08-04 — — CN disclosed
CN-116514925-A Mycobacterium tuberculosis-resistant polypeptide, preparation method and application thereof 南京农业大学 2023-08-01 — — CN disclosed
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