SCHEMBL7103543

SCHEMBL7103543

Cc1cc(C2C3=C(CCC3=O)NC3=C2C(=O)OC3)ccc1Br

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.76
KCNJ11 Q14654 20/20 0.76
ABCC8 Q09428 16/20 0.76
KCNJ8 Q15842 16/20 0.76

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
SCHEMBL7851248 0.92 ABCC9 (0.72) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7097037 0.91 ABCC9 (0.76) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7100183 0.90 ABCC9 (0.81) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7851613 0.86 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7855321 0.86 ABCC9 (0.72) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7096160 0.86 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7098226 0.86 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7098168 0.86 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095119 0.84 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7101209 0.84 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed