SCHEMBL22635940

SCHEMBL22635940

O=C(O)N1C2CC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 17/20 0.61
▸ KCNK9 Q9NPC2 17/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ GAA P10253 1/20 0.59
▸ SLC2A1 P11166 1/20 0.59

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 0.94 KCNK3 (0.68) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22636358 0.92 KCNK3 (0.68) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL19807885 0.88 KCNK3 (0.75) KCNK3KCNK9
SCHEMBL19807887 0.88 KCNK3 (0.73) KCNK3KCNK9KDM4E
SCHEMBL19807884 0.87 KCNK3 (0.76) KCNK3KCNK9KDM4E
SCHEMBL19807866 0.86 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL19807886 0.86 KCNK3 (0.81) KCNK3KCNK9
SCHEMBL19807651 0.86 KCNK3 (0.72) KCNK3KCNK9SLC2A1
SCHEMBL30418662 0.85 KCNK3 (0.67) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL25423903 0.85 KCNK3 (0.76) 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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