SCHEMBL29674936

SCHEMBL29674936

CN[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)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.52
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ CALCRL Q16602 2/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ XIAP P98170 3/20 0.45
▸ BDKRB2 P30411 1/20 0.45
▸ IL23R Q5VWK5 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL29726955 0.93 SLC6A2 (0.55) SLC6A2CALCRLNMUR2NMUR1BDKRB2
SCHEMBL29506907 0.91 SLC6A2 (0.53) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL31490515 0.91 MAPK8 (0.54) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL31490504 0.90 MAPK8 (0.52) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL29506914 0.90 MAPK8 (0.51) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL29726956 0.89 SLC6A2 (0.55) SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL31070215 0.88 SLC6A2 (0.63) SLC6A2CALCRLNMUR2NMUR1OPRM1
SCHEMBL29726957 0.88 SLC6A2 (0.56) SLC6A2CALCRLNMUR2NMUR1OPRM1
SCHEMBL29506913 0.88 MAPK8 (0.50) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL29634976 0.87 MAPK8 (0.54) SLC6A2MAPK8MAPK9MAPK10CALCRL

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
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
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