SCHEMBL19252812

SCHEMBL19252812

Cc1ncc(OC(C)(C)N)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33

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
SCHEMBL12458294 0.81 GAA (0.39) —
SCHEMBL22752309 0.78 ALDH1A1 (0.32) —
SCHEMBL22778719 0.77 — —
SCHEMBL12777855 0.74 GABBR2 (0.39) SCN10ASCN1AKCNH2SCN5ASCN9A
SCHEMBL22752379 0.74 — —
SCHEMBL22752627 0.71 S1PR4 (0.32) —
SCHEMBL19251317 0.70 S1PR1 (0.33) —
SCHEMBL19251222 0.69 — —
SCHEMBL19996792 0.69 PDE2A (0.33) —
SCHEMBL19251313 0.67 CNR2 (0.31) —

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
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
Send feedback