SCHEMBL22102435

SCHEMBL22102435

OCCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCC3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.72

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
SCHEMBL22102684 0.99 SCN9A (0.73) SCN9A
SCHEMBL22102672 0.86 SCN9A (0.76) SCN9A
SCHEMBL22102812 0.85 SCN9A (0.73) SCN9A
SCHEMBL16130010 0.84 SCN9A (1.00) SCN9A
SCHEMBL16129860 0.83 SCN9A (1.00) SCN9A
SCHEMBL17473891 0.83 SCN9A (1.00) SCN9A
SCHEMBL22102823 0.82 SCN9A (0.73) SCN9A
SCHEMBL17473842 0.82 SCN9A (1.00) SCN9A
SCHEMBL21236834 0.79 SCN9A (0.62) SCN9A
SCHEMBL16129906 0.76 SCN9A (1.00) SCN9A

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
EP-3666274-A1 CARBOXAMIDE DERIVATIVES AND USE THEREOF Purdue Pharma LP (US) 2020-06-17 EP disclosed