SCHEMBL21777609

SCHEMBL21777609

O=C(O)N1C2CC[C@H]1C[C@@H](NCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
ACHE P22303 4/20 0.48
BACE1 P56817 4/20 0.48
BCHE P06276 3/20 0.48
GRIN2B Q13224 2/20 0.47
CHRM1 P11229 2/20 0.46
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
DRD4 P21917 1/20 0.45
AR P10275 1/20 0.45
FYN P06241 1/20 0.44
RAB9A P51151 1/20 0.44
FABP6 P51161 1/20 0.43

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
SCHEMBL1574043 1.00 MEN1 (0.55) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL21777608 1.00 MEN1 (0.55) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL1574041 1.00 MEN1 (0.55) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL21773164 1.00 MEN1 (0.55) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL21773167 1.00 MEN1 (0.55) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL1574067 0.88 MEN1 (0.44) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL1574069 0.88 MEN1 (0.44) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL21794034 0.82 CHRM1 (0.51) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL3069424 0.82 CHRM1 (0.51) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL3604680 0.82 CHRM1 (0.51) MEN1KMT2AMAPK1GAASMN1; SMN2

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
EP-3844158-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS Xenon Pharmaceuticals Inc. (CA) 2021-07-07 EP disclosed
WO-2020047312-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed