Sugi Predict

Sugi Predict / Compounds / SCHEMBL30487564

SCHEMBL30487564

SCHEMBL30487564

CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.71
▸ CTSL P07711 3/20 0.64
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ CTSH P09668 1/20 0.64
▸ GLP1R P43220 4/20 0.59
▸ GCGR P47871 3/20 0.59
▸ NMBR P28336 1/20 0.59
▸ GRPR P30550 1/20 0.59
▸ APLNR P35414 1/20 0.58
▸ IL23R Q5VWK5 1/20 0.57
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ KISS1R Q969F8 3/20 0.55
▸ CTNNB1 P35222 1/20 0.55

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
SCHEMBL31544061 0.90 C5AR1 (0.73) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31006727 0.90 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29754594 0.90 C5AR1 (0.70) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29649771 0.89 C5AR1 (0.70) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL20764721 0.89 GRPR (0.70) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30262010 0.88 CTSL (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30631666 0.88 CTSL (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29733647 0.87 C5AR1 (0.63) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL30832366 0.87 C5AR1 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL34470137 0.87 KISS1R (0.67) C5AR1IL23RKISS1RCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116407651-B Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2024-03-15 — — CN claimed
CN-116407651-A Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2023-07-11 — — CN claimed
CN-116407651-B Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2024-03-15 — — CN disclosed
CN-116407651-B Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2024-03-15 — — CN disclosed
CN-116407651-A Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2023-07-11 — — CN disclosed
CN-116407651-A Application of polypeptide MRWVYHPFQ in tumor diagnosis medicine 江西省人民医院 2023-07-11 — — CN disclosed
Send feedback