SCHEMBL5069124

SCHEMBL5069124

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)O)[C@H](O)C(N)=O)[C@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRD1 P41143 8/20 0.38
OPRK1 P41145 4/20 0.37
SCN9A Q15858 3/20 0.32

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
SCHEMBL5069096 0.87 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL4096451 0.86 KEAP1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL2367102 0.80 KEAP1 (0.50) OPRM1OPRD1OPRK1
SCHEMBL2367170 0.80 KEAP1 (0.40)
SCHEMBL4094024 0.79 MME (0.40) OPRM1OPRD1OPRK1SCN9A
SCHEMBL3046711 0.78 RXFP1 (0.40)
SCHEMBL5070815 0.75 OPRD1 (0.32) OPRD1
SCHEMBL5072589 0.75 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL4088608 0.75 PSEN1 (0.42)
SCHEMBL4082724 0.74 OPRM1 (0.33) OPRM1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed