SCHEMBL22636253

SCHEMBL22636253

O=C(O)N1C2CCC1CN(Cc1c(-c3ccc(Br)cc3)nc3ncccn13)C2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.80
▸ KCNK9 Q9NPC2 20/20 0.80

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
SCHEMBL21826998 0.90 KCNK3 (0.81) KCNK3KCNK9
SCHEMBL21826498 0.90 KCNK3 (0.80) KCNK3KCNK9
SCHEMBL22635897 0.89 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826492 0.88 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL21826554 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL27194832 0.86 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432669 0.84 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL22635919 0.84 KCNK3 (0.65) KCNK3KCNK9
SCHEMBL22636294 0.84 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL21826367 0.84 KCNK3 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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