SCHEMBL28404684

SCHEMBL28404684

CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1c[c]ccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 19/20 0.72
KCNA5 P22460 6/20 0.72
KCNH2 Q12809 4/20 0.72
KCNK2 O95069 2/20 0.71
KCNB2 Q92953 1/20 0.51

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
SCHEMBL28408170 0.88 KCNB1 (0.81) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28402784 0.86 KCNB1 (0.56) KCNB1KCNA5KCNH2KCNK2
SCHEMBL28406310 0.83 KCNB1 (1.00) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28406241 0.83 KCNB1 (0.85) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28948623 0.83 KCNB1 (0.80) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL29793632 0.83 KCNB1 (0.80) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28408045 0.83 KCNB1 (0.80) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL29793609 0.83 KCNB1 (0.80) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28411365 0.83 KCNB1 (0.80) KCNB1KCNA5KCNH2KCNK2KCNB2
SCHEMBL28403264 0.83 KCNB1 (0.78) KCNB1KCNA5KCNH2KCNK2

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
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed