SCHEMBL6202004

SCHEMBL6202004

C#CC(ON)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.42
TDO2 P48775 10/20 0.42
IDO2 Q6ZQW0 2/20 0.42
DPP4 P27487 2/20 0.39
F2 P00734 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
SCHEMBL6203172 1.00 IDO1 (0.42) IDO1TDO2IDO2DPP4F2
SCHEMBL6202821 1.00 IDO1 (0.42) IDO1TDO2IDO2DPP4F2
Hydrochloric Acid SCHEMBL7227164 0.98 IDO1 (0.44) IDO1TDO2IDO2
Hydrochloric Acid SCHEMBL7232949 0.98 IDO1 (0.44) IDO1TDO2IDO2
Hydrochloric Acid SCHEMBL7227095 0.98 IDO1 (0.44) IDO1TDO2IDO2
SCHEMBL77245 0.81 DPP4 (0.36) IDO1TDO2IDO2DPP4F2
SCHEMBL6203275 0.78 IDO1 (0.54) IDO1TDO2
SCHEMBL6201361 0.78 CHRNA7 (0.35) IDO1TDO2
SCHEMBL5329740 0.77 TRPA1 (0.46) IDO1TDO2IDO2DPP4F2
SCHEMBL8692714 0.77 THRB (0.40) DPP4F2

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
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
CN-1390834-A Indenoindolone compounds, their preparation and medicinal compositions containing them SEUVILE LAB (FR) 2003-01-15 CN disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed