SCHEMBL30530087

SCHEMBL30530087

Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C#N)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.68
▸ SCN8A Q9UQD0 7/20 0.65
▸ SCN10A Q9Y5Y9 7/20 0.65

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
SCHEMBL25375203 1.00 LRRK2 (0.68) LRRK2SCN8ASCN10A
SCHEMBL30530055 0.94 SCN10A (0.66) LRRK2SCN8ASCN10A
SCHEMBL25374322 0.94 SCN10A (0.66) LRRK2SCN8ASCN10A
SCHEMBL30530074 0.88 SCN8A (0.64) LRRK2SCN8ASCN10A
SCHEMBL25374968 0.88 SCN8A (0.64) LRRK2SCN8ASCN10A
SCHEMBL25373660 0.87 SCN8A (0.64) SCN8ASCN10A
SCHEMBL30530093 0.87 SCN8A (0.64) SCN8ASCN10A
SCHEMBL24518359 0.85 SCN10A (0.65) SCN8ASCN10A
SCHEMBL29571746 0.85 SCN10A (0.65) SCN8ASCN10A
SCHEMBL25373555 0.85 SCN8A (0.60) LRRK2SCN8ASCN10A

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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