SCHEMBL29506912

SCHEMBL29506912

CCCCCCN[C@@H](CS)C(=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)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ SLC6A2 P23975 1/20 0.50
▸ NMUR2 Q9GZQ4 6/20 0.49
▸ NMUR1 Q9HB89 6/20 0.49
▸ APLNR P35414 1/20 0.46
▸ CALCRL Q16602 1/20 0.45
▸ IL23R Q5VWK5 1/20 0.45
▸ REN P00797 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
SCHEMBL29506913 0.97 MAPK8 (0.50) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL29506914 0.96 MAPK8 (0.51) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL29601373 0.93 MAPK8 (0.52) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049835 0.91 MAPK8 (0.48) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL29634954 0.90 CALCRL (0.51) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049840 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049845 0.89 MAPK8 (0.45) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049843 0.88 MAPK8 (0.43) MAPK8MAPK9MAPK10SLC6A2NMUR2
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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955620-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-11-15 — — CN disclosed
CN-118930608-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-11-12 — — CN disclosed
CN-114341158-B Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-08-06 — — CN disclosed
CN-114341158-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2022-04-12 — — CN disclosed
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