Sugi Predict

Sugi Predict / Compounds / SCHEMBL30082469

SCHEMBL30082469

SCHEMBL30082469

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.54
▸ NTSR2 O95665 11/20 0.54
▸ NTSR1 P30989 11/20 0.54
▸ SORT1 Q99523 10/20 0.54
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ EPHA2 P29317 2/20 0.52
▸ F2 P00734 2/20 0.50
▸ APLNR P35414 1/20 0.50

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) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL29429586 0.97 NTSR1 (0.56) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL30116695 0.94 C5AR1 (0.57) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL30230103 0.91 C5AR1 (0.50) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL8741230 0.91 C5AR1 (0.59) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL29701256 0.90 AGTR2 (0.65) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL29701260 0.90 C5AR1 (0.60) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL9010604 0.90 AGTR1 (0.62) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL9010599 0.90 AGTR1 (0.62) C5AR1NTSR2NTSR1SORT1AGTR1
SCHEMBL29649735 0.90 AGTR1 (0.62) C5AR1NTSR2NTSR1SORT1AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976280-B2 SMAC/Diablo inhibitors useful for treating cancer The National Institute for Biotechnology in the Negev Ltd. (IL) 2024-05-07 — — US disclosed
US-20230265433-A1 SMAC/DIABLO INHIBITORS USEFUL FOR TREATING CANCER The National Institute for Biotechnology in the Negev Ltd. (IL) 2023-08-24 — — US disclosed
US-11555192-B2 SMAC/Diablo inhibitors useful for treating cancer The National Institute for Biotechnology in the Negev Ltd. (IL) 2023-01-17 — — US disclosed
Send feedback