SCHEMBL12065355

SCHEMBL12065355

c1nc(CNC2CC3(CNC3)C2)cc2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.42
SLC2A1 P11166 1/20 0.39

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
SCHEMBL14308959 0.80 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL10313868 0.78 KCNH2 (0.45) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL4149656 0.77 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL15760106 0.77 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL4439526 0.73 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL5260537 0.71 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL22146132 0.71 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL3578810 0.71 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL3574881 0.71 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL11999873 0.68 KCNH2 (0.52) KCNH2SLC2A1

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-2011148962-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2011-12-01 WO disclosed