SCHEMBL4558724

SCHEMBL4558724

Cc1nn(-c2ccccc2C(N)=O)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.73
OPRK1 P41145 4/20 0.56
OPRD1 P41143 3/20 0.56
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54

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
SCHEMBL4582385 0.84 OPRM1 (0.59) OPRM1HTTKMT2AHSD17B10HSP90AA1
SCHEMBL15613351 0.80 HSP90AB1 (0.67) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1
SCHEMBL4368064 0.79 HSP90AB1 (0.69) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1
SCHEMBL1220925 0.79 OPRM1 (0.75) OPRM1HTTKMT2AHSD17B10HSP90AA1
SCHEMBL27669999 0.78 HSP90AB1 (0.60) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1
SCHEMBL5009923 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1
SCHEMBL5010057 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1
SCHEMBL4558349 0.78 HSP90AA1 (0.49) OPRM1OPRK1OPRD1HTTKMT2A
SCHEMBL5005722 0.78 OPRM1 (0.51) OPRM1OPRK1OPRD1HTTKMT2A
SCHEMBL1220438 0.78 HSP90AB1 (0.65) OPRM1OPRK1OPRD1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed