SCHEMBL7095360

SCHEMBL7095360

N#Cc1cccc(C2C3=C(CCC3=O)NC3=C2C(=O)NCC3)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.72
ABCC8 Q09428 16/20 0.72
KCNJ11 Q14654 16/20 0.72
KCNJ8 Q15842 16/20 0.72
NOTCH1 P46531 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR174 Q9BXC1 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL6926386 0.92 ABCC9 (0.85) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL4256078 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL29763183 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL3095468 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6431754 0.80 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL7097522 0.80 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL6909574 0.78 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL7094021 0.77 ABCC9 (0.80) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7097781 0.77 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7836158 0.77 ABCC9 (0.84) ABCC9ABCC8KCNJ11KCNJ8NOTCH1

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-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