SCHEMBL1619296

SCHEMBL1619296

CC(C)(C)N(CCCN1CC2CN(CC(O)COc3ccc(C#N)cc3)CC(C1)O2)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.60
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
ABCB11 O95342 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL1619299 1.00 KCNH2 (0.60) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1619343 0.95 KCNH2 (0.62) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4142335 0.89 KCNH2 (0.63) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4134165 0.89 KCNH2 (0.63) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1619268 0.88 KCNH2 (0.51) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL1618052 0.87 KCNH2 (0.48) KCNH2MEN1KDM4EHRH2HRH1
SCHEMBL1619412 0.85 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4137999 0.85 KCNH2 (0.65) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1619267 0.84 KCNH2 (0.48) KCNH2KMT2AKDM4EALDH1A1MAPK1
SCHEMBL1619251 0.84 KCNH2 (0.48) KCNH2KDM4EMAPK1POLBL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed