SCHEMBL31679416

SCHEMBL31679416

CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ NPY1R P25929 3/20 0.53
▸ NTSR1 P30989 7/20 0.52
▸ NTSR2 O95665 6/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ SORT1 Q99523 5/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ NMUR2 Q9GZQ4 3/20 0.51
▸ NMUR1 Q9HB89 3/20 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
SCHEMBL31679462 0.96 AGTR2 (0.52) MAPK8MAPK9MAPK10NPY1RNTSR1
SCHEMBL31679436 0.95 NTSR1 (0.54) MAPK8MAPK9MAPK10NPY1RNTSR1
SCHEMBL31679423 0.95 AGTR2 (0.51) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679411 0.94 NTSR1 (0.53) MAPK8MAPK9MAPK10NPY1RNTSR1
SCHEMBL31679475 0.94 MAPK8 (0.56) MAPK8MAPK9MAPK10NPY1RNTSR1
SCHEMBL31679460 0.94 MAPK8 (0.56) MAPK8MAPK9MAPK10NPY1RNTSR1
SCHEMBL31679451 0.93 AGTR2 (0.52) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679433 0.93 NTSR1 (0.54) NPY1RNTSR1NTSR2OPRD1NPY2R
SCHEMBL31679389 0.93 AGTR2 (0.50) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31679406 0.92 MAPK8 (0.51) MAPK8MAPK9MAPK10NTSR1NTSR2

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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