SCHEMBL622602

SCHEMBL622602

CC(C)(C)OC(=O)c1ccc(NC(=O)C(OCC23CC4CC(CC(C4)C2)C3)c2ccc(S(=O)(=O)C3CC3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.50
SCN9A Q15858 6/20 0.37
SCN5A Q14524 3/20 0.37
NAMPT P43490 1/20 0.35
ALOX15 P16050 1/20 0.35
CCR6 P51684 1/20 0.34

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
SCHEMBL624778 0.88 GCK (0.63) GCK
SCHEMBL623567 0.84 GCK (0.51) GCKCCR6
SCHEMBL622606 0.81 GCK (0.53) GCK
SCHEMBL11997732 0.80 GCK (0.57) GCK
SCHEMBL11971750 0.80 GCK (0.78) GCK
SCHEMBL625032 0.80 GCK (0.52) GCK
SCHEMBL10140457 0.78 GCK (0.50) GCK
SCHEMBL11972361 0.77 GCK (0.79) GCK
SCHEMBL623569 0.77 GCK (0.49) GCKCCR6
SCHEMBL623565 0.75 GCK (0.39) GCKSCN9ASCN5A

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed