SCHEMBL6622157

SCHEMBL6622157

N#Cc1ccc(OCC(O)CN2CC3CC(C2)CN(C(=O)OCCCl)C3)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.41
AGER Q15109 1/20 0.41
MAPK1 P28482 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7963382 0.90 KCNH2 (0.47) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6620218 0.90 KCNH2 (0.47) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6620975 0.89 MEN1 (0.52) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6623149 0.87 KDM4E (0.47) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6618869 0.86 KCNH2 (0.52) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6619788 0.86 KDM4E (0.45) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6622620 0.85 KMT2A (0.50) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6622531 0.85 POLB (0.48) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6619543 0.85 MEN1 (0.53) ALDH1A1KDM4EKCNH2KMT2AMEN1
SCHEMBL6622630 0.85 MEN1 (0.53) ALDH1A1KDM4EKCNH2KMT2AMEN1

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