SCHEMBL31679412

SCHEMBL31679412

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ KEAP1 Q14145 3/20 0.49
▸ NTSR2 O95665 3/20 0.49
▸ NTSR1 P30989 3/20 0.49
▸ KISS1R Q969F8 4/20 0.48
▸ NMUR2 Q9GZQ4 3/20 0.47
▸ NMUR1 Q9HB89 3/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ NPY4R P50391 3/20 0.47
▸ NPY1R P25929 2/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL31679415 0.97 MAPK8 (0.47) MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL31679441 0.94 NTSR1 (0.51) MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL31679452 0.93 F2 (0.49) MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL31679411 0.93 NTSR1 (0.53) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31679423 0.91 AGTR2 (0.51) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31679416 0.90 MAPK8 (0.55) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31679451 0.89 AGTR2 (0.52) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31679475 0.89 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL31679462 0.89 AGTR2 (0.52) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31679344 0.89 NTSR1 (0.60) MAPK8MAPK9MAPK10NTSR2NTSR1

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-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 — — EP disclosed
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