SCHEMBL6432045

SCHEMBL6432045

O=C1CCCC2=C1C(c1ccc(F)c(-c3cccnc3)c1)C1=C(CCS1)N2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.54
ABCC8 Q09428 17/20 0.54
KCNJ11 Q14654 17/20 0.54
KCNJ8 Q15842 17/20 0.54
GPR174 Q9BXC1 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL6435859 0.90 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7241851 0.85 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7235164 0.84 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6434638 0.83 GAA (0.59) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7234165 0.83 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432959 0.82 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432586 0.82 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234681 0.82 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432167 0.81 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7621290 0.80 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US claimed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed