SCHEMBL29429586

SCHEMBL29429586

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](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 14/20 0.56
▸ NTSR2 O95665 11/20 0.56
▸ SORT1 Q99523 10/20 0.56
▸ C5AR1 P21730 1/20 0.56
▸ AGTR1 P30556 1/20 0.55
▸ AGTR2 P50052 1/20 0.55
▸ EPHA2 P29317 2/20 0.54

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
SCHEMBL29634905 0.98 AGTR1 (0.56) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL30116695 0.97 C5AR1 (0.57) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL30082469 0.97 C5AR1 (0.54) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL29701256 0.92 AGTR2 (0.65) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL30230103 0.91 C5AR1 (0.50) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL29701260 0.91 C5AR1 (0.60) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL9010599 0.91 AGTR1 (0.62) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL9010604 0.91 AGTR1 (0.62) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL29649735 0.91 AGTR1 (0.62) NTSR1NTSR2SORT1C5AR1AGTR1
SCHEMBL8741230 0.91 C5AR1 (0.59) NTSR1NTSR2SORT1C5AR1AGTR1

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
US-11634465-B2 Analogues of VDAC1-derived peptides B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNLVERSITY (IL) 2023-04-25 — — US disclosed
CN-108350046-B Analogs of VDAC 1-derived peptides 在本-古里安大学的B.G.内盖夫科技与应用有限公司 2022-04-01 — — CN disclosed
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