SCHEMBL29634967

SCHEMBL29634967

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ CALCRL Q16602 3/20 0.46
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ REN P00797 2/20 0.45
▸ CALCR P30988 4/20 0.44
▸ F2 P00734 4/20 0.43
▸ RAMP1 O60894 1/20 0.43
▸ APLNR P35414 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL30512636 0.87 CALCRL (0.56) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29506917 0.86 CXCL8 (0.52) CALCRF2APLNR
SCHEMBL29506916 0.86 APLNR (0.52) MAPK8MAPK9MAPK10CALCRLHCRTR1
SCHEMBL29634976 0.85 MAPK8 (0.54) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29614861 0.83 CALCRL (0.46) MAPK8MAPK9MAPK10CALCRLHCRTR1
SCHEMBL29634931 0.80 CALCRL (0.53) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL30974474 0.80 CALCRL (0.59) CALCRLRENCALCRF2RAMP1
SCHEMBL29630400 0.80 REN (0.44) REN
SCHEMBL29630379 0.79 REN (0.39) RENF2
SCHEMBL29591797 0.78 REN (0.43) REN

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-3997104-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP disclosed
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