SCHEMBL7963382

SCHEMBL7963382

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 2/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
AGER Q15109 1/20 0.41

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
SCHEMBL6620975 0.93 MEN1 (0.52) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6620218 0.91 KCNH2 (0.47) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6622157 0.90 ALDH1A1 (0.46) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6618869 0.88 KCNH2 (0.52) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6623149 0.87 KDM4E (0.47) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6622531 0.87 POLB (0.48) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6621396 0.86 KCNH2 (0.51) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7029252 0.86 KCNH2 (0.49) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6992337 0.86 KCNH2 (0.50) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6992335 0.86 KCNH2 (0.50) KCNH2MEN1KMT2AALDH1A1KDM4E

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-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed