Sugi Predict

Sugi Predict / Compounds / SCHEMBL4063156

SCHEMBL4063156

SCHEMBL4063156

CC(C)(C)OC(=O)N1CCC(CCCN2c3ccccc3N(c3ccccc3)S2(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ SLC6A2 P23975 5/20 0.48
▸ SLC6A4 P31645 1/20 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
SCHEMBL4062683 0.95 GPR119 (0.55) GPR119KDM4EPKMSLC6A2SLC6A4
SCHEMBL4063161 0.90 GPR119 (0.52) GPR119KDM4EPKM
SCHEMBL4059662 0.90 GPR119 (0.53) GPR119KDM4EPKMSLC6A2SLC6A4
SCHEMBL3600086 0.87 SLC6A2 (0.47) GPR119SLC6A2SLC6A4
SCHEMBL4062687 0.85 GPR119 (0.55) GPR119KDM4EPKM
SCHEMBL3605054 0.85 SLC6A2 (0.55) GPR119SLC6A2SLC6A4
SCHEMBL4058421 0.85 SLC6A2 (0.48) GPR119SLC6A2SLC6A4
SCHEMBL3605455 0.83 SLC6A2 (0.44) GPR119SLC6A2SLC6A4
SCHEMBL3600866 0.83 SLC6A2 (0.48) GPR119KDM4EPKMSLC6A2SLC6A4
SCHEMBL4063277 0.83 GPR119 (0.48) GPR119KDM4EPKMSLC6A2SLC6A4

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
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 — — EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 — — WO disclosed