SCHEMBL30832366

SCHEMBL30832366

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ CTNNB1 P35222 3/20 0.57
▸ KEAP1 Q14145 1/20 0.54
▸ CXCR4 P61073 1/20 0.53
▸ GLP1R P43220 8/20 0.52
▸ GCGR P47871 6/20 0.52
▸ GIPR P48546 6/20 0.52
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51

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
SCHEMBL30631666 0.92 CTSL (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29649771 0.90 C5AR1 (0.70) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31182480 0.88 C5AR1 (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29489488 0.88 C5AR1 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29416193 0.87 KEAP1 (0.63) C5AR1KEAP1CXCR4GLP1RGCGR
SCHEMBL30712930 0.87 C5AR1 (0.63) C5AR1KEAP1GLP1RGCGRGIPR
SCHEMBL30487564 0.87 C5AR1 (0.71) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30262010 0.86 CTSL (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29903369 0.86 C5AR1 (0.67) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL38663455 0.86 C5AR1 (0.63) C5AR1CTSLCTSSCTSKCTSH

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
CN-117866043-B Targeting polypeptide, fluorescent contrast agent and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2024-07-12 — — CN disclosed
CN-117866043-A Targeting polypeptide, fluorescent contrast agent and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2024-04-12 — — CN disclosed
Send feedback