SCHEMBL22637342

SCHEMBL22637342

COC(C)(C)c1cc(-c2noc([C@H](C)NC(=O)O)n2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 11/20 0.68
▸ KCNQ1 P51787 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ CACNA1C Q13936 1/20 0.55
▸ SCN5A Q14524 1/20 0.55
▸ KCNMB1 Q16558 1/20 0.55
▸ KCNT2 Q6UVM3 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.47
▸ ACACB O00763 5/20 0.46
▸ PPARD Q03181 3/20 0.46
▸ PPARA Q07869 3/20 0.46

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
SCHEMBL22637347 1.00 KCNT1 (0.68) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL24660633 0.89 KCNT1 (0.65) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637564 0.86 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637896 0.86 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637565 0.86 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637802 0.82 KCNT1 (0.64) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL29463530 0.82 KCNT1 (1.00) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL28713230 0.81 KCNT1 (0.56) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL28713228 0.81 KCNT1 (0.56) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637706 0.81 KCNT1 (0.55) 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
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
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