SCHEMBL6526565

SCHEMBL6526565

CC(C)(C)OC(=O)NCc1ccccc1CC(=O)N[C@](C)(CN1CCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNA3 P22001 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLS O94925 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 4/20 0.37
NAMPT P43490 1/20 0.37
KDM4A O75164 1/20 0.36
RPS6KA1 Q15418 1/20 0.36

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
SCHEMBL6526664 0.86 GLS (0.49) NPFFR1NPFFR2CYP2D6OPRK1GLS
SCHEMBL825511 0.75 KCNA5 (0.53) KCNA5GLSNAMPTKDM4A
SCHEMBL29430481 0.75 KCNA5 (0.53) KCNA5GLSNAMPTKDM4A
SCHEMBL30159605 0.74 KCNA5 (0.56) KCNA5L3MBTL1NAMPTKDM4A
SCHEMBL8018113 0.74 KCNA5 (0.56) KCNA5L3MBTL1NAMPTKDM4A
SCHEMBL2066840 0.74 SIGMAR1 (0.46) NPFFR1NPFFR2CYP2D6KCNA3L3MBTL1
SCHEMBL5842937 0.73 OPRK1 (0.75) CYP2D6OPRM1OPRD1OPRK1
SCHEMBL11346624 0.72 KCNA5 (0.51) KCNA5GLSNAMPTKDM4A
SCHEMBL7258326 0.72 KCNA5 (0.53) KCNA5GLSNAMPTKDM4A
SCHEMBL11520059 0.71 KCNA5 (0.52) KCNA5GLSNAMPTKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005004796-A2 SULFONYLAMINO PHENYLACETAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-01-20 WO disclosed