SCHEMBL5015557

SCHEMBL5015557

CC(C)(C)OC(=O)NCCCCc1ccc(OCC[NH])cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA12 O43570 5/20 0.59
CA9 Q16790 5/20 0.59
SUCNR1 Q9BXA5 4/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PDK2 Q15119 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL910539 0.88 CA1 (0.62) CA1CA2CA12CA9SUCNR1
SCHEMBL16383769 0.86 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL30521147 0.86 CA1 (0.60) CA1CA2CA12CA9SUCNR1
SCHEMBL17919114 0.85 MAPK1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16383753 0.85 MAPK1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL4656567 0.84 S1PR1 (0.60) CA1CA2CA12CA9SUCNR1
SCHEMBL17366464 0.84 CA12 (0.59) CA1CA2CA12CA9SUCNR1
SCHEMBL917117 0.84 CA1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL17919110 0.84 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL16383779 0.84 CA1 (0.57) CA1CA2CA12CA9SUCNR1

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-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed