SCHEMBL30359160

SCHEMBL30359160

COc1ccc(F)c(C(=O)N2C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ncccn45)CC2CC(=O)C3)n1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.87
▸ KCNK9 Q9NPC2 20/20 0.87

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
SCHEMBL30359157 0.95 KCNK3 (0.88) KCNK3KCNK9
SCHEMBL20588467 0.93 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432776 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001482 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826388 0.90 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432720 0.90 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL30359142 0.90 KCNK3 (0.86) KCNK3KCNK9
SCHEMBL21826760 0.88 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432846 0.88 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001496 0.87 KCNK3 (1.00) KCNK3KCNK9

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
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 — — CN disclosed
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