SCHEMBL22809573

SCHEMBL22809573

CCc1cc(C(F)(F)F)cnc1OCCNC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
SSTR4 P31391 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
SCHEMBL22809617 0.85 ALDH1A1 (0.39) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22809449 0.81 SCN9A (0.50) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL9886104 0.79 LMNA (0.43) LMNAALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL22809637 0.77 ALDH1A1 (0.51) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22809533 0.75 SCN9A (0.42) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22809587 0.71 SCN9A (0.42) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22809636 0.70 PPARG (0.37) LMNAALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL13865701 0.70 AGBL2 (0.47) ALDH1A1SMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL19055601 0.69 AGBL2 (0.44) LMNAALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL24675316 0.68 AGBL2 (0.46) ALDH1A1SMN1; SMN2HPGDNPSR1L3MBTL1

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-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed