SCHEMBL29601373

SCHEMBL29601373

CCCCCCN[C@@H](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)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ CALCRL Q16602 3/20 0.48
▸ NMUR2 Q9GZQ4 6/20 0.47
▸ NMUR1 Q9HB89 6/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ APLNR P35414 1/20 0.44
▸ CXCL8 P10145 4/20 0.44
▸ AGTR2 P50052 2/20 0.44
▸ IL23R Q5VWK5 1/20 0.44
▸ AGTR1 P30556 1/20 0.44

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
SCHEMBL29634954 0.96 CALCRL (0.51) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL29506914 0.96 MAPK8 (0.51) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL29506913 0.95 MAPK8 (0.50) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL29506912 0.93 MAPK8 (0.52) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL31049835 0.92 MAPK8 (0.48) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL31049840 0.90 MAPK8 (0.47) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL31490515 0.89 MAPK8 (0.54) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL29506916 0.89 APLNR (0.52) MAPK8MAPK9MAPK10CALCRLAPLNR
SCHEMBL31490504 0.88 MAPK8 (0.52) MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL29506907 0.87 SLC6A2 (0.53) MAPK8MAPK9MAPK10CALCRLNMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274835-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2023-11-15 — — EP disclosed
WO-2022148843-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-07-14 — — WO disclosed
EP-3997103-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP disclosed
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