SCHEMBL27648667

SCHEMBL27648667

CS(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)N2CCN(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.59
KCNH2 Q12809 2/20 0.58

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
SCHEMBL4423414 0.89 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL4433803 0.88 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL5041909 0.87 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL4422307 0.85 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL27669082 0.84 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4423499 0.84 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL4420068 0.83 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL27648706 0.82 SLC6A9 (0.62) SLC6A9KCNH2
SCHEMBL5043158 0.82 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL4426209 0.81 SLC6A9 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN claimed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN claimed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed