SCHEMBL6435528

SCHEMBL6435528

COc1nc2nonc2nc1N(N)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32

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
SCHEMBL6435103 0.83 HTT (0.33) HTT
SCHEMBL6439454 0.73 GAA (0.45) HTT
SCHEMBL6431994 0.72 GAA (0.46) HTT
SCHEMBL6432336 0.70 SMN1; SMN2 (0.37) HTT
SCHEMBL6435667 0.70 MAPT (0.42) HTT
SCHEMBL6436802 0.69 MAPT (0.44) HTT
SCHEMBL6414257 0.68 GAA (0.39) HTT
SCHEMBL22213870 0.66 CA12 (0.33)
SCHEMBL24344820 0.65 PAX8 (0.35)
SCHEMBL24344233 0.63 KCNQ3 (0.32)

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
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed