SCHEMBL31409362

SCHEMBL31409362

CC(C)(C)OC(=O)N1CCc2oc(C(F)(F)F)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.43
MAPT P10636 2/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 1/20 0.38
HDAC6 Q9UBN7 4/20 0.38
GPR119 Q8TDV5 1/20 0.36
MTOR P42345 2/20 0.36
GRAMD1A Q96CP6 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL31409387 0.90 HDAC4 (0.43) HDAC4MAPTESR2NR1H2PARP1
SCHEMBL31409420 0.82 MAPT (0.42) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL4761186 0.79 DPP4 (0.45) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL4793227 0.76 MAPT (0.44) HDAC4MAPTESR2NR1H2PARP1
SCHEMBL15164308 0.75 ESR2 (0.50) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL15164311 0.75 GRM5 (0.47) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL4792922 0.73 MAPT (0.44) HDAC4MAPTESR2NR1H2PARP1
SCHEMBL31409400 0.73 MAPT (0.44) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL25224995 0.73 ESR2 (0.46) MAPTESR2NR1H2PARP1TNKS2
SCHEMBL16217179 0.73 MAPT (0.46) MAPTESR2NR1H2PARP1TNKS2

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
WO-2025038920-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed
WO-2025038917-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-02-20 WO disclosed