SCHEMBL31409413

SCHEMBL31409413

CC(C)(C)OC(=O)N1CCCc2nc(Br)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.47
ADORA1 P30542 2/20 0.46
MKNK1 Q9BUB5 3/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GCK P35557 7/20 0.40
SCN4A P35499 1/20 0.40
ESR2 Q92731 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL165650 0.92 GRAMD1A (0.53) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL31409422 0.86 SCN4A (0.53) GRAMD1AADORA1MAPTKDM4EGCK
SCHEMBL741730 0.85 ADORA1 (0.42) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL19549675 0.84 ADORA1 (0.48) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL31409411 0.84 GRAMD1A (0.45) GRAMD1AADORA1MAPTKDM4EGCK
SCHEMBL15282792 0.83 GRAMD1A (0.44) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL12761195 0.79 GRAMD1A (0.53) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL17993838 0.79 GRAMD1A (0.53) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL2699291 0.78 GRAMD1A (0.53) GRAMD1AADORA1MKNK1MAPTKDM4E
SCHEMBL172106 0.78 ADORA1 (0.56) GRAMD1AADORA1MKNK1MAPTKDM4E

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