SCHEMBL30450528

SCHEMBL30450528

COc1cc(C(F)(F)F)ccc1OCCNC(=O)c1ccnc(NC(=O)C(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.66
MAPT P10636 5/20 0.51
GSK3B P49841 5/20 0.51
GPR52 Q9Y2T5 2/20 0.47
KMT2A Q03164 2/20 0.46
MCHR1 Q99705 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
RAF1 P04049 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL20595189 1.00 SCN9A (0.66) SCN9AMAPTGSK3BGPR52KMT2A
SCHEMBL22798252 0.91 SCN9A (0.68) SCN9AMAPTGSK3BGPR52KMT2A
SCHEMBL30450902 0.91 SCN9A (0.68) SCN9AMAPTGSK3BGPR52KMT2A
SCHEMBL22797762 0.90 SCN9A (0.67) SCN9AMAPTGSK3BGPR52KMT2A
SCHEMBL22798231 0.90 SCN9A (0.52) SCN9AMAPTGPR52KMT2AMCHR1
SCHEMBL20595154 0.89 SCN9A (0.76) SCN9AMAPTGSK3BMRGPRX4
SCHEMBL20595159 0.88 SCN9A (0.51) SCN9AMAPTGPR52KMT2AMCHR1
SCHEMBL22809634 0.88 GPR52 (0.51) SCN9AMAPTGPR52KMT2AMRGPRX4
SCHEMBL20595207 0.88 SCN9A (0.65) SCN9AMAPTKMT2AMCHR1MRGPRX4
SCHEMBL30450908 0.88 SCN9A (0.65) SCN9AMAPTKMT2AMCHR1MRGPRX4

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