SCHEMBL6624048

SCHEMBL6624048

CC(C)(CO)OC(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 3/20 0.40
POLB P06746 2/20 0.40
AGER Q15109 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL6095122 0.92 KCNH2 (0.48) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL29388816 0.92 KCNH2 (0.48) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6622413 0.92 KCNH2 (0.48) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6622125 0.90 KCNH2 (0.47) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6618869 0.86 KCNH2 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6620975 0.85 MEN1 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6621396 0.85 KCNH2 (0.51) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5965444 0.84 MEN1 (0.43) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6997421 0.84 KCNH2 (0.48) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6623273 0.84 USP2 (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed