SCHEMBL27760468

SCHEMBL27760468

CC(C)CC1=CN(c2ccccc2OC(F)(F)F)C(C=O)N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 5/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SCN9A Q15858 2/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM4 P08173 2/20 0.30
OXTR P30559 1/20 0.30
KDM5A P29375 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
SCHEMBL27781997 0.83 L3MBTL1 (0.33) HCAR1SLC6A2SLC6A4
SCHEMBL27760504 0.71 C5AR1 (0.32)
SCHEMBL27760475 0.71 SCN9A (0.34) HCAR1SLC6A2SLC6A4SCN9ACHRM4
SCHEMBL27640356 0.65 HCAR1 (0.41) HCAR1SCN9A
SCHEMBL74204 0.65 HCAR1 (0.46) HCAR1SLC6A2SLC6A4SCN9ACYP2D6
SCHEMBL4088183 0.65 HCAR1 (0.39) HCAR1SLC6A2SLC6A4SCN9A
SCHEMBL27760467 0.65 L3MBTL1 (0.35) HCAR1CYP2D6
SCHEMBL2662469 0.63 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL27624241 0.58 KCNK3 (0.44) SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL27306746 0.58 DRD2 (0.44) HCAR1CHRM4

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
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN claimed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed