SCHEMBL31679366

SCHEMBL31679366

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](CCCCN)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 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ OPRD1 P41143 5/20 0.48
▸ IL23R Q5VWK5 1/20 0.47
▸ REN P00797 4/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ AGTR2 P50052 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CALCR P30988 1/20 0.45

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) MAPK8MAPK9MAPK10OPRD1REN
SCHEMBL31679418 0.95 OPRD1 (0.54) MAPK8MAPK9MAPK10OPRD1AGTR1
SCHEMBL31679461 0.95 MAPK8 (0.50) MAPK8MAPK9MAPK10OPRD1IL23R
SCHEMBL31679423 0.95 AGTR2 (0.51) MAPK8MAPK9MAPK10OPRD1IL23R
SCHEMBL31679442 0.94 MAPK8 (0.51) MAPK8MAPK9MAPK10OPRD1AGTR1
SCHEMBL31679451 0.93 AGTR2 (0.52) MAPK8MAPK9MAPK10OPRD1AGTR1
SCHEMBL31679462 0.93 AGTR2 (0.52) MAPK8MAPK9MAPK10OPRD1IL23R
SCHEMBL31679406 0.92 MAPK8 (0.51) MAPK8MAPK9MAPK10OPRD1IL23R
SCHEMBL31679349 0.92 OPRD1 (0.51) OPRD1IL23ROPRM1
SCHEMBL31679381 0.92 AGTR2 (0.50) MAPK8MAPK9MAPK10OPRD1AGTR1

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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