SCHEMBL22635923

SCHEMBL22635923

O=C(O)N1CCC2CCC1CN2Cc1c(-c2ccc(Cl)cn2)nc2ccccn12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.78
▸ KCNK9 Q9NPC2 20/20 0.78

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
SCHEMBL25425858 0.93 KCNK3 (0.70) KCNK3KCNK9
SCHEMBL29432712 0.93 KCNK3 (0.70) KCNK3KCNK9
SCHEMBL22001484 0.88 KCNK3 (0.71) KCNK3KCNK9
SCHEMBL22001644 0.88 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22635898 0.88 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL29457989 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001685 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20587843 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20587831 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432754 0.84 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 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
Send feedback