SCHEMBL22798408

SCHEMBL22798408

CC(CNC(=O)c1ccnc(NC(=O)C(C)C)c1)Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.77
MAPT P10636 9/20 0.52
GSK3B P49841 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
PPARG P37231 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TYK2 P29597 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL22798215 1.00 SCN9A (0.77) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL23954506 0.89 SCN9A (0.71) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL22798299 0.89 SCN9A (0.61) SCN9AMAPTGSK3B
SCHEMBL23926194 0.89 SCN9A (0.61) SCN9AMAPTGSK3B
SCHEMBL22798423 0.88 SCN9A (0.78) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL23926191 0.88 SCN9A (0.78) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL22797785 0.87 SCN9A (1.00) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL20595170 0.86 SCN9A (0.95) SCN9AMAPTGSK3BSMN1; SMN2PPARG
SCHEMBL22797770 0.83 SCN9A (0.75) SCN9AMAPTGSK3BSMN1; SMN2KDM4E
SCHEMBL22797813 0.80 SCN9A (0.73) SCN9AMAPTGSK3BSMN1; SMN2KDM4E

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