SCHEMBL30417533

SCHEMBL30417533

CCCCOC(=O)N1CCC2CCC1CN2Cc1c(-c2ccc(Cl)cc2)nc2ncccn12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.69
▸ KCNK9 Q9NPC2 20/20 0.69

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
SCHEMBL25260063 0.94 KCNK3 (0.76) KCNK3KCNK9
SCHEMBL22636359 0.93 KCNK3 (0.73) KCNK3KCNK9
SCHEMBL20587835 0.87 KCNK3 (0.88) KCNK3KCNK9
SCHEMBL29776787 0.86 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL20587839 0.85 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL29776789 0.84 KCNK3 (0.91) KCNK3KCNK9
SCHEMBL20587743 0.81 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001651 0.81 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432695 0.81 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL25424018 0.81 KCNK3 (0.81) 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 2 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
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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