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Sugi Predict / Compounds / SCHEMBL29732931

SCHEMBL29732931

SCHEMBL29732931

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 10/20 0.68
▸ NPY4R P50391 8/20 0.68
▸ NPY5R Q15761 8/20 0.68
▸ NPY1R P25929 8/20 0.68
▸ TFPI P10646 4/20 0.63
▸ CALCR P30988 1/20 0.59
▸ EP300 Q09472 1/20 0.59
▸ HIF1A Q16665 1/20 0.59

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
SCHEMBL30495647 0.91 NPY2R (0.77) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182841 0.89 TFPI (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30712913 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658303 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31255177 0.89 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432021 0.88 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432066 0.88 EP300 (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432186 0.88 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176436 0.88 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182809 0.88 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763377-B Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2023-11-03 — — CN claimed
CN-114763377-A Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2022-07-19 — — CN claimed
CN-114763377-B Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2023-11-03 — — CN disclosed
CN-114763377-B Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2023-11-03 — — CN disclosed
CN-114763377-A Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2022-07-19 — — CN disclosed
CN-114763377-A Human milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2022-07-19 — — CN disclosed
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