SCHEMBL4788147

SCHEMBL4788147

CC(C)(C)OC(=O)N[C@@H]1COc2cccc(OS(=O)(=O)c3cccnc3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.44
SCN5A Q14524 7/20 0.44
KCNH2 Q12809 7/20 0.41
KDM4D Q6B0I6 2/20 0.39
RORC P51449 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL4788156 1.00 SCN9A (0.44) SCN9ASCN5AKCNH2KDM4DRORC
SCHEMBL873946 0.80 DRD2 (0.45) SCN9ASCN5AKCNH2
SCHEMBL873945 0.80 DRD2 (0.45) SCN9ASCN5AKCNH2
SCHEMBL4749973 0.78 METAP2 (0.35) SCN9ASCN5A
SCHEMBL4749974 0.78 METAP2 (0.35) SCN9ASCN5A
SCHEMBL28356770 0.78 MTNR1A (0.45)
SCHEMBL4750961 0.77 SCN9A (0.65) SCN9ASCN5AKCNH2
SCHEMBL4749709 0.77 SCN9A (0.65) SCN9ASCN5AKCNH2
SCHEMBL4750448 0.76 SCN9A (0.51) SCN9ASCN5AKCNH2
SCHEMBL4750450 0.76 SCN9A (0.51) SCN9ASCN5AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed