SCHEMBL31679397

SCHEMBL31679397

CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.56
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
NTSR1 P30989 5/20 0.54
NTSR2 O95665 4/20 0.54
SORT1 Q99523 3/20 0.53
NMUR2 Q9GZQ4 1/20 0.52
NMUR1 Q9HB89 1/20 0.52
OPRD1 P41143 3/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A2 P23975 1/20 0.52
F2 P00734 1/20 0.51

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
SCHEMBL31679465 0.95 NTSR1 (0.62) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679434 0.94 MAPK8 (0.61) AGTR1AGTR2MAPK8MAPK9MAPK10
SCHEMBL31679464 0.93 OPRM1 (0.56) EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL31679443 0.91 MAPK8 (0.61) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679375 0.89 MAPK8 (0.63) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679332 0.89 MAPK8 (0.60) AGTR1AGTR2MAPK8MAPK9MAPK10
SCHEMBL31679430 0.88 AGTR1 (0.57) AGTR1AGTR2MAPK8MAPK9MAPK10
SCHEMBL31679379 0.88 NTSR1 (0.58) AGTR1AGTR2MAPK8MAPK9MAPK10
SCHEMBL31679457 0.88 OPRM1 (0.53) EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29370150 0.87 NTSR1 (0.71) NTSR1NTSR2SORT1

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