SCHEMBL30530109

SCHEMBL30530109

COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(C#N)c2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.67
▸ SCN10A Q9Y5Y9 4/20 0.67
▸ LRRK2 Q5S007 1/20 0.56

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
SCHEMBL25374778 1.00 SCN8A (0.67) SCN8ASCN10ALRRK2
SCHEMBL30530122 0.88 LRRK2 (0.59) SCN8ASCN10ALRRK2
SCHEMBL25374650 0.88 LRRK2 (0.59) SCN8ASCN10ALRRK2
SCHEMBL25375109 0.86 SCN8A (0.66) SCN8ASCN10ALRRK2
SCHEMBL30530154 0.86 SCN8A (0.66) SCN8ASCN10ALRRK2
SCHEMBL25372330 0.84 SCN8A (0.64) SCN8ASCN10ALRRK2
SCHEMBL30530159 0.84 SCN8A (0.64) SCN8ASCN10ALRRK2
SCHEMBL16408280 0.83 — —
SCHEMBL25374322 0.82 SCN10A (0.66) SCN8ASCN10ALRRK2
SCHEMBL30530055 0.82 SCN10A (0.66) SCN8ASCN10ALRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655497-B Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2025-06-03 — — CN disclosed
CN-116655497-A Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2023-08-29 — — CN disclosed
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