SCHEMBL6465855

SCHEMBL6465855

O=C1CCCC2=C1C(c1ccc(Br)c([N+](=O)[O-])c1)C1=C(CCS1)N2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.51
ABCC8 Q09428 19/20 0.51
KCNJ11 Q14654 19/20 0.51
KCNJ8 Q15842 19/20 0.51

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
SCHEMBL6910686 0.88 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432510 0.88 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6904218 0.88 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431863 0.88 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6471235 0.86 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431674 0.86 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6467085 0.86 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431874 0.85 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7241658 0.85 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7236086 0.85 ABCC9 (0.51) 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
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed