SCHEMBL30449741

SCHEMBL30449741

CC(=O)Nc1cc(C(=O)NCCCc2ncc(C(F)(F)F)cc2Cl)cc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.59
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARD Q03181 1/20 0.39
RHOC P08134 3/20 0.38
RHOA P61586 3/20 0.38
PHGDH O43175 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL22798309 1.00 SCN9A (0.59) SCN9AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL20595230 0.86 SCN9A (0.58) SCN9AMAPTCYP3A4KMT2AALDH1A1
SCHEMBL20595204 0.86 SCN9A (0.78) SCN9AMAPTKMT2AALDH1A1PPARD
SCHEMBL30449788 0.86 SCN9A (0.58) SCN9AMAPTCYP3A4KMT2AALDH1A1
SCHEMBL30449602 0.86 SCN9A (0.78) SCN9AMAPTKMT2AALDH1A1PPARD
SCHEMBL22798301 0.84 SCN9A (0.59) SCN9AMAPTKMT2AALDH1A1MEN1
SCHEMBL30449765 0.84 SCN9A (0.59) SCN9AMAPTKMT2AALDH1A1MEN1
SCHEMBL22798304 0.83 SCN9A (0.82) SCN9AKMT2AALDH1A1MEN1PPARD
SCHEMBL30450216 0.83 SCN9A (0.82) SCN9AKMT2AALDH1A1MEN1PPARD
SCHEMBL22798281 0.83 SCN9A (0.58) SCN9AMAPTKMT2AALDH1A1MEN1

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