SCHEMBL31324070

SCHEMBL31324070

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 19/20 0.65
▸ NTSR2 O95665 17/20 0.65
▸ SORT1 Q99523 16/20 0.65
▸ NPY1R P25929 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
SCHEMBL31324069 1.00 NTSR1 (0.65) NTSR1NTSR2SORT1NPY1R
SCHEMBL30422438 0.91 NTSR1 (0.66) NTSR1NTSR2SORT1
SCHEMBL30360392 0.91 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL30864885 0.91 NTSR1 (0.78) NTSR1NTSR2SORT1
SCHEMBL30034783 0.90 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL30037824 0.90 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL10592955 0.89 NTSR2 (0.64) NTSR1NTSR2SORT1NPY1R
SCHEMBL29370150 0.89 NTSR1 (0.71) NTSR1NTSR2SORT1
SCHEMBL29436251 0.89 NTSR1 (0.71) NTSR1NTSR2SORT1
SCHEMBL30312779 0.89 NTSR1 (0.72) NTSR1NTSR2SORT1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909038-A Polypeptide derived from inner Mongolia milk bean curd and preparation method and application thereof 上海交通大学 2024-11-08 — — CN disclosed
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