SCHEMBL29432669

SCHEMBL29432669

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

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
SCHEMBL29776789 0.92 KCNK3 (0.91) KCNK3KCNK9
SCHEMBL25299635 0.91 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL24208115 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL25424018 0.86 KCNK3 (0.81) KCNK3KCNK9
SCHEMBL21826554 0.86 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29776792 0.85 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL22636253 0.84 KCNK3 (0.80) KCNK3KCNK9
SCHEMBL22636303 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22635897 0.81 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22635911 0.80 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 1 patent. 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
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