SCHEMBL6622261

SCHEMBL6622261

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
HRH3 Q9Y5N1 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.41
MMP2 P08253 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
MAPT P10636 1/20 0.39
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL6622630 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6619543 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6740378 0.86 HRH3 (0.42) KCNA5HRH3ALDH1A1KDM4EKCNH2
SCHEMBL6621946 0.84 MMP12 (0.50) MEN1ALDH1A1KCNH2HRH2HRH1
SCHEMBL6322140 0.83 GRIN1 (0.40) KCNA5MEN1KMT2AALDH1A1KDM4E
SCHEMBL6621505 0.81 KCNA5 (0.48) KCNA5HRH3ALDH1A1KDM4EMAPT
SCHEMBL6620819 0.81 GRIN2B (0.43) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6317205 0.81 GRIN2B (0.51) MEN1KMT2AALDH1A1KDM4EGRIN1
SCHEMBL6622363 0.80 MAPT (0.37) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6742821 0.80 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4EKCNH2

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