SCHEMBL7233103

SCHEMBL7233103

C=C(OCC)c1cc([C@@H]2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.48
ABCC8 Q09428 12/20 0.48
KCNJ11 Q14654 12/20 0.48
KCNJ8 Q15842 12/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
BCHE P06276 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 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
SCHEMBL6431875 1.00 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7242111 0.90 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7235607 0.87 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7235248 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7235431 0.85 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6437054 0.84 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7242136 0.84 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6433089 0.82 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7234700 0.82 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6433267 0.82 ABCC9 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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