SCHEMBL8727805

SCHEMBL8727805

CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ FCER2 P06734 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.36
▸ PSMB5 P28074 2/20 0.35
▸ ANPEP P15144 2/20 0.35
▸ RNPEP Q9H4A4 2/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL29815598 0.89 PTGS1 (0.49) PTGS1GSTK1OPRM1OPRD1OPRK1
SCHEMBL21153033 0.86 PTGS1 (0.48) PTGS1GSTK1OPRM1OPRD1OPRK1
SCHEMBL29387981 0.86 PTGS1 (0.47) PTGS1GSTK1OPRM1OPRD1OPRK1
SCHEMBL2840621 0.85 FCER2 (0.44) FCER2SLC7A5ANPEPRNPEPDNPEP
SCHEMBL2184368 0.84 PTGS1 (0.46) PTGS1GSTK1OPRM1OPRD1OPRK1
SCHEMBL2184371 0.84 PTGS1 (0.46) PTGS1GSTK1OPRM1OPRD1OPRK1
SCHEMBL7150981 0.81 MAPT (0.53) OPRM1OPRD1OPRK1SLC7A5
SCHEMBL7553789 0.81 MAPT (0.53) OPRM1OPRD1OPRK1SLC7A5
SCHEMBL29833638 0.79 ECE1 (0.47) OPRM1OPRD1OPRK1SLC7A5
SCHEMBL30661454 0.78 PTGS1 (0.47) PTGS1GSTK1OPRM1OPRD1OPRK1

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-0840619-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1998-05-13 — — EP disclosed
WO-1996040251-A1 PREVENTION AND TREATMENT OF SEPSIS OPHIDIAN PHARMACEUTICALS, INC. (US) 1996-12-19 — — WO disclosed
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