SCHEMBL30362990

SCHEMBL30362990

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 7/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ NTSR2 O95665 3/20 0.56
▸ NTSR1 P30989 3/20 0.56
▸ SORT1 Q99523 3/20 0.56
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ AGTR2 P50052 4/20 0.53
▸ AGTR1 P30556 3/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53
▸ F2 P00734 1/20 0.53

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
SCHEMBL30362820 0.98 NTSR1 (0.58) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL29758902 0.96 NPY2R (0.54) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL29362259 0.92 NPY2R (0.47) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL29805251 0.92 NPY2R (0.47) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL30435305 0.90 NTSR1 (0.61) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL29706382 0.88 SLC6A2 (0.53) NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL31086923 0.88 NTSR1 (0.60) NTSR2NTSR1SORT1
SCHEMBL29796754 0.88 NTSR1 (0.60) NTSR2NTSR1SORT1
SCHEMBL29465928 0.88 NTSR1 (0.60) NTSR2NTSR1SORT1
SCHEMBL29796613 0.87 NTSR1 (0.60) NTSR2NTSR1SORT1AGTR2AGTR1

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-116159024-A Beta-hairpin peptidomimetics having elastase inhibitory activity and aerosol dosage forms thereof 思帕克塞斯股份公司 2023-05-26 — — CN disclosed
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