SCHEMBL29649771

SCHEMBL29649771

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.70
▸ AGTR1 P30556 3/20 0.57
▸ AGTR2 P50052 3/20 0.57
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ CTNNB1 P35222 2/20 0.53
▸ NTSR2 O95665 2/20 0.53
▸ NTSR1 P30989 2/20 0.53
▸ SORT1 Q99523 2/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ KISS1R Q969F8 4/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ IL23R Q5VWK5 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
SCHEMBL9010599 0.94 AGTR1 (0.62) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL9010604 0.94 AGTR1 (0.62) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL29649735 0.94 AGTR1 (0.62) C5AR1AGTR1AGTR2NTSR2NTSR1
Acetic Acid SCHEMBL29619795 0.93 AGTR1 (0.61) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL8741230 0.92 C5AR1 (0.59) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL29976843 0.91 C5AR1 (0.58) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL29619803 0.91 C5AR1 (0.65) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL29976469 0.91 C5AR1 (0.65) C5AR1AGTR1AGTR2NTSR2NTSR1
SCHEMBL30832366 0.90 C5AR1 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29976356 0.90 C5AR1 (0.57) C5AR1AGTR1AGTR2NTSR2NTSR1

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
US-11331368-B2 Angiotensin receptor agonists and uses thereof MONASH UNIVERSITY (AU) 2022-05-17 — — US disclosed
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