Sugi Predict

Sugi Predict / Compounds / SCHEMBL5041803

SCHEMBL5041803

SCHEMBL5041803

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 20/20 1.00
▸ KCNH2 Q12809 4/20 0.86
▸ SLC6A5 Q9Y345 2/20 0.65

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
SCHEMBL4425804 0.93 SLC6A9 (0.86) SLC6A9KCNH2SLC6A5
SCHEMBL5038091 0.91 SLC6A9 (0.83) SLC6A9KCNH2SLC6A5
SCHEMBL5041914 0.90 SLC6A9 (0.82) SLC6A9KCNH2SLC6A5
SCHEMBL4428910 0.90 SLC6A9 (0.82) SLC6A9KCNH2SLC6A5
SCHEMBL4419596 0.90 SLC6A9 (0.81) SLC6A9KCNH2SLC6A5
SCHEMBL27669082 0.89 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5037980 0.89 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5133024 0.88 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5047809 0.88 SLC6A9 (0.86) SLC6A9KCNH2SLC6A5
SCHEMBL4430983 0.88 SLC6A9 (0.78) SLC6A9KCNH2SLC6A5

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 3 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 disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 — — CN disclosed