SCHEMBL31409400

SCHEMBL31409400

CC(C)(C)OC(=O)N1CCc2nc(C(=O)O)oc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ADORA1 P30542 2/20 0.44
ESR2 Q92731 1/20 0.41
NR1H2 P55055 2/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRAMD1A Q96CP6 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MTOR P42345 2/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 1/20 0.35
C5AR1 P21730 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 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
SCHEMBL175997 0.88 USP2 (0.39) MAPTADORA1ESR2NR1H2USP2
SCHEMBL740910 0.88 MAPT (0.44) MAPTADORA1ESR2NR1H2USP2
SCHEMBL31409384 0.84 ADORA1 (0.48) MAPTADORA1ESR2NR1H2USP2
SCHEMBL16217179 0.84 MAPT (0.46) MAPTADORA1ESR2NR1H2USP2
SCHEMBL31409414 0.83 MAPT (0.45) MAPTADORA1ESR2NR1H2USP2
SCHEMBL17327923 0.83 MAPT (0.45) MAPTADORA1ESR2NR1H2USP2
SCHEMBL16220569 0.83 MAPT (0.45) MAPTADORA1ESR2NR1H2USP2
SCHEMBL31409387 0.81 HDAC4 (0.43) MAPTADORA1ESR2NR1H2USP2
SCHEMBL29222075 0.81 MAPT (0.43) MAPTADORA1ESR2NR1H2USP2
SCHEMBL743031 0.81 MAPT (0.43) MAPTADORA1ESR2NR1H2USP2

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