SCHEMBL28032076

SCHEMBL28032076

N#Cc1cc(Cl)cc(COC(=O)N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.54
ATXN2 Q99700 2/20 0.48
ADRA1D P25100 1/20 0.42

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
SCHEMBL149388 0.86 ENPP2 (0.55) ENPP2ATXN2
SCHEMBL15795890 0.85 ENPP2 (0.58) ENPP2ATXN2
Hydrochloric Acid SCHEMBL28168579 0.85 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL542707 0.85 ENPP2 (0.56) ENPP2ATXN2
Hydrochloric Acid SCHEMBL15795501 0.84 ENPP2 (0.57) ENPP2ATXN2
SCHEMBL1842056 0.83 ENPP2 (0.44) ENPP2
SCHEMBL16825189 0.81 DPP7 (0.52)
SCHEMBL16825436 0.80 FNTA (0.53)
SCHEMBL1841014 0.79 DPP7 (0.50)
SCHEMBL15795579 0.78 MRGPRX4 (0.44) ENPP2ATXN2ADRA1D

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
CN-104968656-A AUTOTAXIN INHIBITORS NOVARTIS AG 2015-10-07 CN disclosed