SCHEMBL7855041

SCHEMBL7855041

O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(COC1=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 1.00
KCNJ11 Q14654 20/20 1.00
ABCC8 Q09428 19/20 1.00
KCNJ8 Q15842 19/20 1.00

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
SCHEMBL4255048 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4255051 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7098226 0.93 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7851613 0.93 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7096160 0.93 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7843452 0.91 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7097711 0.90 ABCC9 (0.82) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7823829 0.90 ABCC9 (0.84) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7856207 0.90 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4261083 0.89 ABCC9 (1.00) 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-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP claimed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
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