SCHEMBL7100235

SCHEMBL7100235

O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(COC1=O)N2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.67
KCNJ11 Q14654 9/20 0.67
ABCC8 Q09428 8/20 0.67
KCNJ8 Q15842 8/20 0.67
SMN1; SMN2 Q16637 3/20 0.60
GPR174 Q9BXC1 1/20 0.59
HPGD P15428 5/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 3/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 1/20 0.55
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL7097711 0.83 ABCC9 (0.82) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL15450534 0.81 GPR174 (0.81) SMN1; SMN2GPR174HPGDALDH1A1HSD17B10
SCHEMBL7101209 0.80 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095119 0.80 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4255051 0.80 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7855566 0.80 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4255048 0.80 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7855041 0.80 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7853122 0.80 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099014 0.80 ABCC9 (0.66) 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 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