SCHEMBL31679461

SCHEMBL31679461

CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)c1ccccc1)[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
▸ AGTR1 P30556 1/20 0.45
▸ AGTR2 P50052 1/20 0.45
▸ OPRD1 P41143 4/20 0.44
▸ NMUR2 Q9GZQ4 3/20 0.44
▸ NMUR1 Q9HB89 3/20 0.44
▸ APLNR P35414 1/20 0.43
▸ REN P00797 1/20 0.42
▸ BDKRB2 P30411 2/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ IL23R Q5VWK5 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
SCHEMBL31679475 0.95 MAPK8 (0.56) MAPK8MAPK9MAPK10OPRD1NMUR2
SCHEMBL31679366 0.95 MAPK8 (0.50) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679423 0.94 AGTR2 (0.51) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679425 0.94 MAPK8 (0.48) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679442 0.94 MAPK8 (0.51) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679451 0.93 AGTR2 (0.52) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679462 0.93 AGTR2 (0.52) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679407 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10AGTR1AGTR2
SCHEMBL31679391 0.92 OPRD1 (0.49) OPRD1NMUR2NMUR1BDKRB2IL23R
SCHEMBL31679406 0.92 MAPK8 (0.51) MAPK8MAPK9MAPK10AGTR1AGTR2

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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