SCHEMBL30856561

SCHEMBL30856561

CCCCCC[C@](N)(CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ NMUR2 Q9GZQ4 6/20 0.43
▸ NMUR1 Q9HB89 6/20 0.43
▸ CALCRL Q16602 1/20 0.42
▸ IL23R Q5VWK5 1/20 0.41
▸ APLNR P35414 1/20 0.41
▸ AGTR2 P50052 4/20 0.41
▸ AGTR1 P30556 3/20 0.41

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
SCHEMBL31049833 0.97 SLC6A2 (0.45) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049836 0.93 IL23R (0.43) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049846 0.93 GRB2 (0.39) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049847 0.92 MAPK8 (0.41) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049830 0.89 NMUR2 (0.39) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049839 0.89 MAPK8 (0.38) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL29506914 0.88 MAPK8 (0.51) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049832 0.88 OPRK1 (0.39) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31490515 0.88 MAPK8 (0.54) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31490504 0.87 MAPK8 (0.52) MAPK8MAPK9MAPK10SLC6A2NMUR2

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
WO-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
CN-117736266-A Preparation method and application of fibroblast activation protein specific diagnosis and treatment integrated probe 上海交通大学医学院附属仁济医院 2024-03-22 — — CN disclosed
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