SCHEMBL7095756

SCHEMBL7095756

O=C1OCC2=C1C(c1ccccc1)C1=C(COC1=O)N2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.58
KCNJ11 Q14654 15/20 0.58
ABCC8 Q09428 11/20 0.58
KCNJ8 Q15842 11/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
BRD4 O60885 2/20 0.54
BRDT Q58F21 2/20 0.54
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7099312 0.85 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7097001 0.85 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7101255 0.85 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099662 0.85 MAPT (0.61) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL7099723 0.81 ABCC9 (0.61) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7096606 0.81 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7098806 0.81 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10830997 0.81 ALDH1A1 (0.74) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7099811 0.80 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL27156931 0.79 ALDH1A1 (0.58) ABCC9KCNJ11ABCC8KCNJ8KDM4E

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