SCHEMBL25423903

SCHEMBL25423903

O=C(O)N1CC2CN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.76
▸ KCNK9 Q9NPC2 20/20 0.76

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
SCHEMBL25249541 0.89 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL21360478 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22364213 0.86 KCNK3 (0.76) KCNK3KCNK9
SCHEMBL21360489 0.86 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20591034 0.86 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21360497 0.86 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29458055 0.85 KCNK3 (0.67) KCNK3KCNK9
SCHEMBL22636126 0.85 KCNK3 (0.59) KCNK3KCNK9
SCHEMBL22636019 0.85 KCNK3 (0.68) KCNK3KCNK9
SCHEMBL22635940 0.85 KCNK3 (0.61) 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
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
EP-3965766-A1 COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2022-03-16 — — EP disclosed
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