SCHEMBL22941963

SCHEMBL22941963

COc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 20/20 0.83
SCN10A Q9Y5Y9 20/20 0.83

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
SCHEMBL15561892 0.91 SCN8A (1.00) SCN8ASCN10A
SCHEMBL22941947 0.91 SCN8A (0.68) SCN8ASCN10A
SCHEMBL22941961 0.90 SCN8A (0.67) SCN8ASCN10A
SCHEMBL22941960 0.90 SCN10A (0.74) SCN8ASCN10A
SCHEMBL19524199 0.88 SCN8A (0.87) SCN8ASCN10A
SCHEMBL22941944 0.88 SCN8A (0.64) SCN8ASCN10A
SCHEMBL22203105 0.86 SCN8A (0.61) SCN8ASCN10A
SCHEMBL30532316 0.86 SCN8A (0.61) SCN8ASCN10A
SCHEMBL22941962 0.85 SCN8A (0.62) SCN8ASCN10A
SCHEMBL15561743 0.85 SCN8A (1.00) SCN8ASCN10A

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-2021018165-A1 PYRIDINE BENZAMIDE DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICINAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2021-02-04 WO disclosed