SCHEMBL22798313

SCHEMBL22798313

CC(C)C(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)ccn1.O=C(NCCOc1ccc(C(F)(F)F)cc1F)c1ccnc(NC(=O)C2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.59
KDR P35968 9/20 0.48
BRAF P15056 8/20 0.48
GSK3B P49841 8/20 0.47
GSK3A P49840 5/20 0.47
MAPT P10636 4/20 0.47

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
SCHEMBL22797762 0.93 SCN9A (0.67) SCN9AGSK3BMAPT
SCHEMBL20595167 0.93 GSK3B (0.52) SCN9AKDRBRAFGSK3BGSK3A
SCHEMBL22797805 0.86 GSK3B (0.52) SCN9AKDRBRAFGSK3BGSK3A
SCHEMBL30450902 0.85 SCN9A (0.68) SCN9AGSK3BMAPT
SCHEMBL22798252 0.85 SCN9A (0.68) SCN9AGSK3BMAPT
SCHEMBL22797811 0.85 GSK3B (0.52) SCN9AKDRBRAFGSK3BGSK3A
SCHEMBL20595171 0.84 SCN9A (0.56) SCN9AKDRBRAFGSK3BGSK3A
SCHEMBL20595154 0.84 SCN9A (0.76) SCN9AGSK3BMAPT
SCHEMBL20595189 0.84 SCN9A (0.66) SCN9AGSK3BMAPT
SCHEMBL30450528 0.84 SCN9A (0.66) SCN9AGSK3BMAPT

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 claimed