SCHEMBL25423652

SCHEMBL25423652

CC(C)N(C(=O)N1C2CCC1CNC2)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
GRM5 P41594 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL30359196 0.85 KCNK3 (0.32) KCNK3KCNK9
SCHEMBL28997101 0.82 MAPK1 (0.36) P2RX1P2RX3P2RX4P2RX7
SCHEMBL28653925 0.82 GRM5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRM5
SCHEMBL26204857 0.78 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL28997119 0.77 HTR1A (0.39) CHRNB2CHRNB4CHRNA3CHRNA4KCNK3
SCHEMBL2302714 0.74 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GRM5
SCHEMBL742194 0.74 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GRM5
SCHEMBL12425649 0.73 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL30358994 0.73 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4KCNK3
SCHEMBL1404442 0.72 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO claimed
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed