SCHEMBL18258951

SCHEMBL18258951

CC(=O)N[Fe](C)Cc1cc(F)c(OCC(F)(F)F)nc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
CNR2 P34972 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
RIPK1 Q13546 6/20 0.33
PIK3CA P42336 1/20 0.31
HSD11B1 P28845 1/20 0.30
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2717106 0.76 PTGS2 (0.35) ACACBCNR2HCRTR1HCRTR2SCN9A
SCHEMBL2714834 0.73 ALDH1A1 (0.34) ACACBCNR2HCRTR1HCRTR2SCN9A
SCHEMBL28840392 0.73 CNR2 (0.34) ACACBCNR2MEN1MAPTKMT2A
SCHEMBL2716649 0.72 GAA (0.46) CNR2SCN9ALMNASMN1; SMN2
SCHEMBL27914078 0.72 MMP13 (0.42) ACACBCNR2RIPK1MEN1KMT2A
SCHEMBL2716490 0.71 L3MBTL1 (0.38) CNR2HCRTR1HCRTR2SCN9AMEN1
SCHEMBL2715621 0.70 SCN9A (0.43) RIPK1SCN9A
SCHEMBL27913875 0.70 KCNH2 (0.47) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2714362 0.70 GRK2 (0.44) RIPK1SCN9AMAPT
SCHEMBL27931827 0.69 CNR2 (0.34) ACACBCNR2RIPK1SCN9A

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
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed