SCHEMBL30116695

SCHEMBL30116695

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ NTSR1 P30989 10/20 0.55
▸ NTSR2 O95665 8/20 0.55
▸ SORT1 Q99523 7/20 0.55
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ APLNR P35414 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 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
SCHEMBL29429586 0.97 NTSR1 (0.56) C5AR1EPHA2NTSR1NTSR2SORT1
SCHEMBL29634905 0.95 AGTR1 (0.56) C5AR1EPHA2NTSR1NTSR2SORT1
SCHEMBL30082469 0.94 C5AR1 (0.54) C5AR1EPHA2NTSR1NTSR2SORT1
SCHEMBL29973760 0.93 AGTR2 (0.63) C5AR1EPHA2NTSR1NTSR2SORT1
SCHEMBL29701256 0.91 AGTR2 (0.65) C5AR1EPHA2NTSR1NTSR2SORT1
SCHEMBL29416004 0.90 NPY2R (0.59) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29701260 0.90 C5AR1 (0.60) C5AR1NTSR1NTSR2SORT1AGTR1
SCHEMBL9010599 0.90 AGTR1 (0.62) C5AR1NTSR1NTSR2SORT1AGTR1
SCHEMBL9010604 0.90 AGTR1 (0.62) C5AR1NTSR1NTSR2SORT1AGTR1
SCHEMBL29649735 0.90 AGTR1 (0.62) C5AR1NTSR1NTSR2SORT1AGTR1

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
EP-4096697-A1 PEPTIDES USEFUL IN PRESERVATION AND/OR RESTORATION OF FUNCTIONAL PANCREATIC ISLETS AND IN TREATING DIABETES The National Institute for Biotechnology in the Negev Ltd. (IL) 2022-12-07 — — EP disclosed
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