SCHEMBL30449602

SCHEMBL30449602

CC(=O)Nc1cc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc(C)n1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.78
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 1/20 0.38
PPARD Q03181 1/20 0.38
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL20595204 1.00 SCN9A (0.78) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL22798304 0.97 SCN9A (0.82) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL30450216 0.97 SCN9A (0.82) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL22798237 0.88 SCN9A (0.79) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL22809571 0.88 SCN9A (0.61) SCN9ARHOCRHOASMN1; SMN2KMT2A
SCHEMBL22798213 0.88 SCN9A (1.00) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL22797771 0.87 SCN9A (0.77) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL22798309 0.86 SCN9A (0.59) SCN9ARHOCRHOAALDH1A1KMT2A
SCHEMBL20595173 0.86 SCN9A (0.77) SCN9ARHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL30449741 0.86 SCN9A (0.59) SCN9ARHOCRHOAALDH1A1KMT2A

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