SCHEMBL7098441

SCHEMBL7098441

CN1CC2=C(C1=O)C(c1cccc(C#N)c1)C1=C(CCCC1=O)N2

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.78
ABCC8 Q09428 15/20 0.78
KCNJ11 Q14654 15/20 0.78
KCNJ8 Q15842 15/20 0.78
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR174 Q9BXC1 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
NOTCH1 P46531 1/20 0.41

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
SCHEMBL29763183 0.88 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL4256078 0.88 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL3095468 0.88 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6926386 0.81 ABCC9 (0.85) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7836158 0.81 ABCC9 (0.84) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6642962 0.77 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6905395 0.77 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6434255 0.77 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7095809 0.76 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7853133 0.76 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 6 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-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