SCHEMBL7100170

SCHEMBL7100170

O=C1NCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.76
ABCC8 Q09428 20/20 0.76
KCNJ11 Q14654 20/20 0.76
KCNJ8 Q15842 20/20 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
SCHEMBL7101618 0.87 ABCC9 (0.88) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4261651 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4261095 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29763179 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4261099 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432213 0.82 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7099676 0.81 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5075549 0.81 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4256453 0.80 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4256450 0.80 ABCC9 (1.00) 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 2 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