SCHEMBL28544642

SCHEMBL28544642

CS(=O)(=O)c1ccc(OCC2(C(F)(F)F)CC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.78
KCNH2 Q12809 7/20 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
SCHEMBL28537131 0.92 SLC6A9 (0.66) SLC6A9KCNH2
SCHEMBL28539798 0.90 SLC6A9 (0.80) SLC6A9KCNH2
SCHEMBL28535133 0.89 SLC6A9 (0.68) SLC6A9KCNH2
SCHEMBL28539727 0.88 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL28547679 0.88 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL4425906 0.88 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL28910554 0.87 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL5038206 0.86 SLC6A9 (0.88) SLC6A9KCNH2
SCHEMBL4431365 0.86 SLC6A9 (0.85) SLC6A9KCNH2
SCHEMBL4421296 0.86 SLC6A9 (0.87) SLC6A9KCNH2

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-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN claimed
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN disclosed