SCHEMBL7721962

SCHEMBL7721962

CC(C)(C)OC(=O)C(NC(=N)N)(C(=O)OC(C)(C)C)C1CCC(CN)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.30

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
SCHEMBL7760502 0.83 DGAT1 (0.37) LMNADGAT1
SCHEMBL14690919 0.72 PLG (0.45) PLGPLATLMNA
SCHEMBL5540803 0.66 PLG (0.52) PLGPLATLMNA
SCHEMBL6774358 0.66 PLG (0.52) PLGPLATLMNA
SCHEMBL13668662 0.66 PLG (0.42) PLGPLATLMNA
SCHEMBL28958600 0.66 PLG (0.42) PLGPLATLMNA
SCHEMBL352832 0.66 DRD2 (0.49)
SCHEMBL3943582 0.66 DRD2 (0.49)
SCHEMBL3943109 0.66 ACACB (0.51)
SCHEMBL1972715 0.66 NCF1 (0.41) PLGPLATLMNADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387949-B1 ANALGESICS ASTRAZENECA CANADA INC. (CA) 2002-05-14 US disclosed
EP-1089967-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-11 EP disclosed
WO-1999067206-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed