SCHEMBL30418662

SCHEMBL30418662

NC(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 17/20 0.67
▸ KCNK9 Q9NPC2 17/20 0.67
▸ KDM4E B2RXH2 3/20 0.60
▸ GAA P10253 1/20 0.58
▸ SLC2A1 P11166 1/20 0.58

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
SCHEMBL22636019 0.91 KCNK3 (0.68) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22636305 0.89 KCNK3 (0.74) KCNK3KCNK9
SCHEMBL19807672 0.88 KCNK3 (0.66) KCNK3KCNK9
SCHEMBL19807752 0.88 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL22916216 0.88 KCNK3 (0.74) KCNK3KCNK9KDM4E
SCHEMBL19807756 0.87 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL22916213 0.87 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL22636021 0.87 KCNK3 (0.77) KCNK3KCNK9KDM4E
SCHEMBL19807492 0.87 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL19807676 0.87 KCNK3 (0.75) KCNK3KCNK9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452264-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP disclosed
EP-4452263-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A P2X3 RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP disclosed
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
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