SCHEMBL29463542

SCHEMBL29463542

CCOc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 20/20 0.84
KCNQ1 P51787 1/20 0.79
KCNH2 Q12809 1/20 0.79
CACNA1C Q13936 1/20 0.79
SCN5A Q14524 1/20 0.79
KCNMB1 Q16558 1/20 0.79
KCNT2 Q6UVM3 1/20 0.79

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
SCHEMBL22637678 1.00 KCNT1 (0.84) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637674 1.00 KCNT1 (0.84) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637941 0.92 KCNT1 (0.81) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637945 0.92 KCNT1 (0.81) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL29463522 0.92 KCNT1 (0.81) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL24660776 0.91 KCNT1 (1.00) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL29463504 0.91 KCNT1 (1.00) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL24660465 0.91 KCNT1 (1.00) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637201 0.91 KCNT1 (1.00) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637718 0.91 KCNT1 (0.85) KCNT1KCNQ1KCNH2CACNA1CSCN5A

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
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed