SCHEMBL22635898

SCHEMBL22635898

O=C(O)N1CCC2CCC1CN2Cc1c(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.77
▸ KCNK9 Q9NPC2 20/20 0.77

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
SCHEMBL22635923 0.88 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL20588394 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20590020 0.87 KCNK3 (0.70) KCNK3KCNK9
SCHEMBL29432750 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20587839 0.85 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL19807480 0.84 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL19807832 0.84 KCNK3 (0.72) KCNK3KCNK9
SCHEMBL22001695 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432766 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001489 0.84 KCNK3 (1.00) 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-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
WO-2020225185-A1 COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — WO disclosed
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