SCHEMBL30449593

SCHEMBL30449593

Cc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2C)cc(NC(=O)C(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.68
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39
PPARD Q03181 4/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL22797803 1.00 SCN9A (0.68) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL22809520 0.94 SCN9A (0.62) SCN9AKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL22798285 0.93 SCN9A (0.66) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL20595207 0.92 SCN9A (0.65) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL30450908 0.92 SCN9A (0.65) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL22797788 0.92 SCN9A (0.75) SCN9AMRGPRX4SMN1; SMN2
SCHEMBL22797766 0.90 SCN9A (0.73) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL22798289 0.90 SCN9A (0.54) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL22798435 0.88 SCN9A (0.53) SCN9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL30449642 0.88 SCN9A (0.53) SCN9AALDH1A1KDM4EHPGDKMT2A

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
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
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