SCHEMBL31322209

SCHEMBL31322209

N#CCC(=O)c1cc(C(F)(F)F)on1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF3 O95398 7/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL31322206 1.00 RAPGEF3 (0.38) RAPGEF3CYP1A2CYP3A4CYP2C19GAA
SCHEMBL15188819 0.84 RAPGEF3 (0.44) RAPGEF3MAPK1
SCHEMBL10445289 0.75 MAPT (0.46) CYP1A2CYP2C19GAARXFP1KCNH2
SCHEMBL6371376 0.73 ALDH1A1 (0.44) RAPGEF3
SCHEMBL25286222 0.72 SMN1; SMN2 (0.36) RAPGEF3MAPK1
SCHEMBL12467195 0.72 KMT2A (0.42) RAPGEF3MAPK1LMNA
SCHEMBL31226373 0.71 P2RX7 (0.46) GAAMAPK1
SCHEMBL6370812 0.69 SMN1; SMN2 (0.40) GAAMAPK1LMNA
SCHEMBL18606355 0.69 L3MBTL1 (0.31) —
SCHEMBL24112995 0.68 HDAC4 (0.43) RAPGEF3MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038930-A1 AZEPANE AND PYRROLIDINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 — — WO disclosed
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