SCHEMBL30359142

SCHEMBL30359142

COc1cccc(C(=O)N2C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ncccn45)CC2CC(=O)C3)n1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.86
▸ KCNK9 Q9NPC2 20/20 0.86

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
SCHEMBL22001654 0.93 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432785 0.93 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001582 0.91 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29458049 0.91 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826385 0.90 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432661 0.90 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL30359160 0.90 KCNK3 (0.87) KCNK3KCNK9
SCHEMBL30359150 0.88 KCNK3 (0.87) KCNK3KCNK9
SCHEMBL21826515 0.88 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432797 0.88 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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