SCHEMBL6274835

SCHEMBL6274835

CCOCNc1ccc(NCc2ccc(F)cc2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.67
KCNQ3 O43525 3/20 0.67
KCNQ4 P56696 1/20 0.67
KCNQ5 Q9NR82 1/20 0.67
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44

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
Ezogabine SCHEMBL4054750 0.81 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL20835 0.81 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL29359156 0.81 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL15357224 0.81 KCNQ2 (1.00) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL154715 0.80 KCNQ2 (0.98) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL155918 0.80 KCNQ2 (0.98) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
SCHEMBL1651597 0.79 KCNQ3 (0.74) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
Ezogabine SCHEMBL15539530 0.78 KCNQ2 (0.94) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
SCHEMBL16625703 0.78 KCNQ3 (0.57) KCNQ2KCNQ3KCNQ4KCNQ5HSD17B10
SCHEMBL1226537 0.76 KCNQ3 (0.54) KCNQ2KCNQ3KCNQ4KCNQ5MEN1

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
EP-1326597-B1 USE OF KCNQ POTASSIUM CHANNEL AGONISTS FOR THE MANUFACTURE OF A MEDICAMENT FOR MODULATING BLADDER FUNCTION WYETH CORP (US) 2005-12-28 EP disclosed