SCHEMBL4428306

SCHEMBL4428306

O=C(NN1CCCCC1)c1ccc2c3ccccc3cccc1-2

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
POLB P06746 1/20 0.72
GAA P10253 1/20 0.54
HTT P42858 2/20 0.50
CNR1 P21554 4/20 0.46
CNR2 P34972 5/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HTR2C P28335 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
XBP1 P17861 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2187506 0.77 HTT (0.59) LMNAPOLBGAAHTTCNR1
SCHEMBL5067725 0.76 HTT (0.57) LMNAPOLBGAAHTTCNR1
SCHEMBL17729939 0.76 HTT (0.61) LMNAPOLBGAAHTTCNR1
SCHEMBL12501175 0.74 LMNA (0.70) LMNAPOLBGAAHTTCNR1
SCHEMBL13045505 0.69 CDC25B (0.56) HTTCNR1CNR2
SCHEMBL13045496 0.69 CDC25B (0.56) HTTCNR1CNR2
SCHEMBL6157148 0.69 POLB (0.55) LMNAPOLBGAA
SCHEMBL3456407 0.69 LMNA (0.58) LMNAPOLBGAAHTTCNR2
SCHEMBL3754498 0.68 LMNA (0.51) LMNAPOLBGAAHTTCNR1
SCHEMBL6553709 0.68 HTT (0.64) LMNAPOLBGAAHTTCNR1

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-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed