SCHEMBL29601430

SCHEMBL29601430

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ CALCRL Q16602 4/20 0.45
▸ REN P00797 2/20 0.44
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ OPRK1 P41145 5/20 0.43
▸ NPFFR2 Q9Y5X5 5/20 0.43
▸ CDYL2 Q8N8U2 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43

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
SCHEMBL29634976 0.90 MAPK8 (0.54) MAPK8MAPK9MAPK10SLC6A2CALCRL
SCHEMBL29600734 0.89 CALCRL (0.51) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL31122250 0.81 CALCRL (0.53) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29505970 0.81 REN (0.53) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL38659222 0.79 MAPK8 (0.57) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL38657879 0.79 SLC6A2 (0.63) SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL29506880 0.78 CALCRL (0.52) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL30004440 0.78 REN (0.53) MAPK8MAPK9MAPK10SLC6A2REN
SCHEMBL29575473 0.78 REN (0.51) SLC6A2CALCRLREN
SCHEMBL31500490 0.78 REN (0.53) SLC6A2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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