SCHEMBL5072589

SCHEMBL5072589

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.36
OPRD1 P41143 6/20 0.36
OPRK1 P41145 2/20 0.36
TERT O14746 1/20 0.32
PRMT1 Q99873 1/20 0.32
KEAP1 Q14145 1/20 0.31

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 0.88 OPRM1 (0.31) OPRM1OPRD1KEAP1
SCHEMBL4089483 0.87 OPRM1 (0.42) OPRM1OPRD1OPRK1TERTPRMT1
SCHEMBL4089476 0.87 OPRM1 (0.42) OPRM1OPRD1OPRK1TERTPRMT1
SCHEMBL4089047 0.86 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL4100066 0.83 MME (0.34) OPRM1OPRD1OPRK1
SCHEMBL4094324 0.82 TERT (0.42) OPRM1OPRD1OPRK1TERTPRMT1
SCHEMBL4094331 0.82 TERT (0.42) OPRM1OPRD1OPRK1TERTPRMT1
SCHEMBL4082724 0.81 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL4092941 0.81 MME (0.39)
SCHEMBL4099169 0.80 TERT (0.38) OPRM1OPRD1OPRK1TERT

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