SCHEMBL31020938

SCHEMBL31020938

CC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CN(C=O)CC3C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 19/20 0.70
▸ KCNK9 Q9NPC2 19/20 0.70
▸ SLC2A1 P11166 1/20 0.54

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
SCHEMBL29458055 0.89 KCNK3 (0.67) KCNK3KCNK9SLC2A1
SCHEMBL22269606 0.87 KCNK3 (0.67) KCNK3KCNK9SLC2A1
SCHEMBL25249541 0.86 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL30417275 0.86 KCNK3 (0.63) KCNK3KCNK9SLC2A1
SCHEMBL21360488 0.86 KCNK3 (0.67) KCNK3KCNK9SLC2A1
SCHEMBL19807762 0.82 KCNK3 (0.62) KCNK3KCNK9SLC2A1
SCHEMBL21360483 0.82 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21360470 0.82 KCNK3 (1.00) KCNK3KCNK9
Hydrochloric Acid SCHEMBL31448414 0.82 KCNK3 (0.61) KCNK3KCNK9SLC2A1
SCHEMBL19807810 0.82 KCNK3 (0.64) KCNK3KCNK9SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118785904-A Conjugates of TASK1/3 channel blockers and P2X3 receptor antagonists for the treatment of sleep apnea 拜耳公司 2024-10-15 — — CN claimed
CN-118785904-A Conjugates of TASK1/3 channel blockers and P2X3 receptor antagonists for the treatment of sleep apnea 拜耳公司 2024-10-15 — — CN disclosed
CN-118541153-A Conjugates of a TASK1/3 channel blocker and a norepinephrine reuptake inhibitor for the treatment of sleep apnea 拜耳公司 2024-08-23 — — CN disclosed
CN-118434415-A Conjugates of TASK1/3 channel blockers and muscarinic receptor antagonists for the treatment of sleep apnea 拜耳公司 2024-08-02 — — CN disclosed
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