SCHEMBL22798207

SCHEMBL22798207

CC(=O)Nc1cc(C(=O)N[C@H](C)COc2ncc(C(F)(F)F)cc2Cl)ccn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.63
MAPT P10636 3/20 0.43
GSK3B P49841 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
ACACB O00763 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
SCN5A Q14524 1/20 0.41
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
SCHEMBL22797770 0.92 SCN9A (0.75) SCN9AMAPTGSK3BALDH1A1KDM4E
SCHEMBL22798278 0.91 SCN9A (0.61) SCN9AMAPTGSK3BALDH1A1KDM4E
SCHEMBL22798280 0.91 SCN9A (0.61) SCN9AMAPTGSK3BALDH1A1KDM4E
SCHEMBL22797828 0.90 SCN9A (0.60) SCN9AMAPTGSK3B
SCHEMBL22797825 0.90 SCN9A (0.60) SCN9AMAPTGSK3B
SCHEMBL23954505 0.88 SCN9A (0.57) SCN9AMAPTGSK3BALDH1A1KDM4E
SCHEMBL20595175 0.86 SCN9A (0.64) SCN9AALDH1A1KDM4EMRGPRX4ACACB
SCHEMBL20595176 0.86 SCN9A (0.64) SCN9AALDH1A1KDM4EMRGPRX4ACACB
SCHEMBL22797745 0.83 SCN9A (0.82) SCN9AMAPTGSK3BALDH1A1MRGPRX4
SCHEMBL30450684 0.83 SCN9A (0.82) SCN9AMAPTGSK3BALDH1A1MRGPRX4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN claimed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP claimed
CN-110612285-A Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2019-12-24 CN claimed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed
CN-110612285-A Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2019-12-24 CN disclosed