SCHEMBL30230103

SCHEMBL30230103

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.50
▸ AGTR1 P30556 2/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ OPRD1 P41143 4/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ EPHA2 P29317 2/20 0.49
▸ NTSR1 P30989 5/20 0.49
▸ NTSR2 O95665 4/20 0.49
▸ SORT1 Q99523 3/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ RAMP3 O60896 1/20 0.47
▸ CALCR P30988 1/20 0.47

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 0.92 AGTR1 (0.56) C5AR1AGTR1AGTR2EPHA2NTSR1
SCHEMBL29429586 0.91 NTSR1 (0.56) C5AR1AGTR1AGTR2EPHA2NTSR1
SCHEMBL30082469 0.91 C5AR1 (0.54) C5AR1AGTR1AGTR2EPHA2NTSR1
SCHEMBL30116695 0.88 C5AR1 (0.57) C5AR1AGTR1AGTR2EPHA2NTSR1
SCHEMBL2030582 0.88 CTSL (0.54) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL2034640 0.87 CTSL (0.49) C5AR1AGTR1AGTR2CTSLCTSS
SCHEMBL29701260 0.86 C5AR1 (0.60) C5AR1AGTR1AGTR2NTSR1NTSR2
SCHEMBL8741230 0.85 C5AR1 (0.59) C5AR1AGTR1AGTR2NTSR1NTSR2
SCHEMBL29975776 0.85 AGTR1 (0.57) C5AR1AGTR1AGTR2NTSR1NTSR2
SCHEMBL7052378 0.85 AGTR2 (0.65) C5AR1AGTR1AGTR2EPHA2NTSR1

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-20230285291-A1 MANUFACTURING OF SYNTHETIC EXOSOMES FOR CNS AND NON-CNS DELIVERY OF THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-14 — — US disclosed
EP-4132584-A1 MANUFACTURING OF SYNTHETIC EXOSOMES FOR CNS AND NON-CNS DELIVERY OF THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-15 — — EP disclosed
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