SCHEMBL7095276

SCHEMBL7095276

CN1CC2=C(C1=O)C(c1ccccc1)C1=C(CN(C)C1=O)N2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.59
ABCC8 Q09428 8/20 0.59
KCNJ11 Q14654 8/20 0.59
KCNJ8 Q15842 8/20 0.59
BRD4 O60885 6/20 0.46
BRDT Q58F21 3/20 0.46
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 1/20 0.38
SRD5A1 P18405 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
SCHEMBL13014236 0.77 BRD4 (0.59) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL7006023 0.75 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7100558 0.73 PKM (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7098441 0.72 ABCC9 (0.78) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7095756 0.68 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL7814667 0.68 MAPT (0.73) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL7817258 0.67 GPR174 (0.72) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7096267 0.67 LMNA (0.53) ABCC9KCNJ11BRD4BRDTMEN1
SCHEMBL7343713 0.67 MAPT (0.48) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL13302833 0.66 ALDH1A1 (0.46) MEN1LMNAMAPTKMT2A

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