SCHEMBL7095697

SCHEMBL7095697

O=C1OCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(COC1=O)N2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.62
ABCC9 O60706 15/20 0.53
KCNJ11 Q14654 15/20 0.53
ABCC8 Q09428 11/20 0.53
KCNJ8 Q15842 11/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44

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
SCHEMBL7099811 0.85 ABCC9 (0.53) CACNA1CABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7144692 0.83 KDM4E (0.64) CACNA1CKDM4EALDH1A1LMNA
SCHEMBL31069038 0.82 MAPT (0.63) CACNA1CKDM4EALDH1A1LMNACACNA1F
SCHEMBL9636791 0.82 MAPT (0.63) CACNA1CKDM4EALDH1A1LMNACACNA1F
SCHEMBL11255190 0.81 CACNA1C (0.53) CACNA1CLMNACACNA1FADORA3CACNA1D
SCHEMBL10725299 0.80 KDM4E (0.71) CACNA1CKDM4EALDH1A1LMNACACNA1F
SCHEMBL6928301 0.80 ABCC9 (0.50) CACNA1CABCC9KCNJ11ABCC8KCNJ8
SCHEMBL11007384 0.80 MEN1 (0.62) CACNA1CKDM4EALDH1A1LMNACACNA1F
SCHEMBL9837396 0.80 CACNA1C (0.50) CACNA1CKDM4EALDH1A1LMNACACNA1F
SCHEMBL31069039 0.79 CACNA1F (0.60) CACNA1CKDM4EALDH1A1LMNACACNA1F

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 8 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 claimed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO claimed
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-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