SCHEMBL30417275

SCHEMBL30417275

CC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CCC(C2)N3C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 19/20 0.63
▸ KCNK9 Q9NPC2 19/20 0.63
▸ SLC2A1 P11166 1/20 0.53

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
SCHEMBL19807667 0.89 KDM4E (0.62) KCNK3KCNK9SLC2A1
SCHEMBL31020938 0.86 KCNK3 (0.70) KCNK3KCNK9SLC2A1
SCHEMBL29432813 0.86 KCNK3 (0.67) KCNK3KCNK9SLC2A1
SCHEMBL30417973 0.85 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL29432833 0.83 KDM4E (0.62) KCNK3KCNK9SLC2A1
SCHEMBL22269606 0.83 KCNK3 (0.67) KCNK3KCNK9SLC2A1
SCHEMBL19807810 0.82 KCNK3 (0.64) KCNK3KCNK9SLC2A1
SCHEMBL19807662 0.82 KDM4E (0.65) KCNK3KCNK9SLC2A1
SCHEMBL19807871 0.81 KCNK3 (0.77) KCNK3KCNK9
Hydrochloric Acid SCHEMBL31448348 0.81 KCNK3 (0.63) 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 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
Send feedback