SCHEMBL28544648

SCHEMBL28544648

CS(=O)(=O)c1ccc(OCC2(CO)CC2)c(C(=O)N2CCN(c3ncc(C#N)s3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.49
KCNH2 Q12809 6/20 0.48

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
SCHEMBL28537261 0.93 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL28535187 0.87 SLC6A9 (0.52) SLC6A9KCNH2
SCHEMBL2825376 0.85 SLC6A9 (0.56) SLC6A9KCNH2
SCHEMBL2825251 0.85 SLC6A9 (0.65) SLC6A9KCNH2
SCHEMBL2823699 0.85 SLC6A9 (0.65) SLC6A9KCNH2
SCHEMBL2826955 0.84 SLC6A9 (0.66) SLC6A9KCNH2
SCHEMBL2825287 0.84 SLC6A9 (0.63) SLC6A9KCNH2
SCHEMBL2826347 0.83 SLC6A9 (0.62) SLC6A9KCNH2
SCHEMBL2823574 0.83 SLC6A9 (0.49) SLC6A9KCNH2
SCHEMBL2830821 0.82 SLC6A9 (0.57) 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 1 patent. 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 disclosed