SCHEMBL7098231

SCHEMBL7098231

O=C1CCC2=C1C(c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(COC1=O)N2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.59
KCNJ11 Q14654 19/20 0.59
ABCC8 Q09428 18/20 0.59
KCNJ8 Q15842 18/20 0.59

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
SCHEMBL7093440 0.94 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7851186 0.94 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7853555 0.94 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6928832 0.90 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5074900 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7098808 0.88 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7097012 0.88 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095966 0.86 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7196992 0.86 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7094179 0.85 ABCC9 (0.61) 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 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