SCHEMBL22635895

SCHEMBL22635895

CCOc1ccc(F)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(C(C)C)cc4)nc4ncccn24)C3)n1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.88
▸ KCNK9 Q9NPC2 20/20 0.88

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
SCHEMBL29432651 1.00 KCNK3 (0.88) KCNK3KCNK9
SCHEMBL21826463 0.94 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001496 0.90 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826663 0.89 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826388 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432720 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL24208146 0.85 KCNK3 (0.86) KCNK3KCNK9
Bafrekalant SCHEMBL21826404 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL24208162 0.85 KCNK3 (0.84) KCNK3KCNK9
SCHEMBL22636202 0.85 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
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 claimed
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