SCHEMBL21295101

SCHEMBL21295101

CC(NC(=O)CCC(C)(C)C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 7/20 0.58
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MME P08473 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL22970326 1.00 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL25846583 0.89 KCNK2 (0.48) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21288068 0.89 KCNK2 (0.48) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21303100 0.88 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21288036 0.88 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21288075 0.87 PDE2A (0.48) GPR139MMEITGB3ITGAVITGB5
SCHEMBL21303092 0.87 PDE2A (0.48) GPR139MMEITGB3ITGAVITGB5
SCHEMBL21288072 0.86 MEN1 (0.45) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21303094 0.86 MEN1 (0.45) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21272691 0.85 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB

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
EP-3755684-B1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H LUNDBECK AS (DK) 2023-07-12 EP disclosed
EP-3755684-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2020-12-30 EP disclosed
WO-2019161877-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-29 WO disclosed
WO-2019161877-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-29 WO disclosed