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Sugi Predict / Compounds / SCHEMBL30578758

SCHEMBL30578758

SCHEMBL30578758

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 10/20 0.59
▸ NTSR1 P30989 10/20 0.59
▸ SORT1 Q99523 10/20 0.59
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55

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
SCHEMBL30578756 0.98 NTSR2 (0.61) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL30578762 0.97 NTSR2 (0.60) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL29477118 0.89 KDM1A (0.60) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL29856103 0.88 TFPI (0.60) NPY2RNPY4RNPY5RNPY1R
SCHEMBL29695639 0.87 TFPI (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30578759 0.87 NPY4R (0.59) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30578761 0.87 NPY4R (0.59) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30578755 0.87 NPY4R (0.59) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30578763 0.87 NPY4R (0.59) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30578757 0.86 NPY4R (0.58) NPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116804044-A Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof 北京凯因格领生物技术有限公司 2023-09-26 — — CN claimed
CN-116804044-A Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof 北京凯因格领生物技术有限公司 2023-09-26 — — CN disclosed
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