SCHEMBL29432724

SCHEMBL29432724

CC(C)c1ccc(-c2nc3ccccn3c2CN2C3CCC2CN(C(=O)O)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.62
▸ KCNK9 Q9NPC2 20/20 0.62

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
SCHEMBL22636126 0.89 KCNK3 (0.59) KCNK3KCNK9
SCHEMBL19807627 0.88 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL22635988 0.87 KCNK3 (0.60) KCNK3KCNK9
SCHEMBL19807781 0.87 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL25249541 0.86 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL29432813 0.85 KCNK3 (0.67) KCNK3KCNK9
SCHEMBL22916182 0.85 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL22916197 0.85 KCNK3 (0.66) KCNK3KCNK9
SCHEMBL29458095 0.85 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL22636209 0.83 KCNK3 (0.59) 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
Send feedback