SCHEMBL19622192

SCHEMBL19622192

COCCN(C)c1nc(Oc2ccc(BOC(C)(C)C(C)(C)OC)c(C=O)c2)ccc1C#N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.32

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
SCHEMBL19622191 0.94 SCN9A (0.32) SCN9A
SCHEMBL2526135 0.83 SCN9A (0.34) SCN9A
SCHEMBL11994825 0.82 SCN9A (0.34) SCN9A
SCHEMBL8005187 0.81 HRH3 (0.30)
SCHEMBL18808971 0.79 SCN9A (0.33) SCN9A
SCHEMBL2525459 0.76 PDE4B (0.36) SCN9A
SCHEMBL2526441 0.76 PDE4B (0.31)
SCHEMBL8010674 0.73 PDE4B (0.32) SCN9A
SCHEMBL8007424 0.71 PDE4B (0.32)
SCHEMBL18808964 0.71 SCN9A (0.33) 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-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed