SCHEMBL1768437

SCHEMBL1768437

CC(C)(C)N(Cc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.66
SCN1A P35498 2/20 0.66
SCN4A P35499 2/20 0.66
SCN5A Q14524 2/20 0.66
SCN9A Q15858 2/20 0.66
SCN2A Q99250 2/20 0.66
SCN3A Q9NY46 2/20 0.66
SCN10A Q9Y5Y9 2/20 0.66
CYP2D6 P10635 9/20 0.46
CYP1A2 P05177 6/20 0.46
CYP3A4 P08684 1/20 0.43
GSK3B P49841 1/20 0.36
TBXAS1 P24557 3/20 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
SCHEMBL1768351 0.86 SCN8A (0.55) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL11896943 0.82 SCN8A (0.64) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL11896942 0.82 SCN8A (0.85) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768299 0.81 SCN8A (0.69) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL12649245 0.80 SCN8A (0.74) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768467 0.80 SCN8A (1.00) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768473 0.79 SCN8A (0.85) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768241 0.78 SCN8A (0.48) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768434 0.78 SCN8A (0.61) SCN8ASCN1ASCN4ASCN5ASCN9A
SCHEMBL1768484 0.77 CYP2D6 (0.47) SCN8ASCN1ASCN4ASCN5ASCN9A

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-2011061469-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2011-05-26 WO disclosed