SCHEMBL31292010

SCHEMBL31292010

CC(C)(C)OC(=O)NC1CCN(CC(F)(F)F)C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
GAA P10253 1/20 0.43
FPR2 P25090 1/20 0.41
SCN9A Q15858 8/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.39
CALCRL Q16602 1/20 0.37

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
SCHEMBL31291817 1.00 F2 (0.45) F2F10PRSS1GAAFPR2
SCHEMBL17033975 1.00 F2 (0.45) F2F10PRSS1GAAFPR2
SCHEMBL31291977 0.92 F2 (0.53) F2F10PRSS1GAASCN9A
SCHEMBL10264999 0.85 F2 (0.47) F2F10PRSS1GAAFPR2
SCHEMBL1198807 0.84 GAA (0.41) F2F10PRSS1GAASCN9A
SCHEMBL8081478 0.83 F2 (0.51) F2F10PRSS1GAAFPR2
SCHEMBL7292123 0.83 F2 (0.51) F2F10PRSS1GAAFPR2
SCHEMBL4760690 0.83 F2 (0.46) F2F10PRSS1GAAFPR2
SCHEMBL13259959 0.83 F2 (0.51) F2F10PRSS1GAAFPR2
SCHEMBL23547629 0.82 CALCRL (0.40) FPR2CALCRL

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-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed