SCHEMBL9874618

SCHEMBL9874618

CC(=O)N[C@H]1CCCC[C@H]2CNC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
SSTR4 P31391 2/20 0.38
ATM Q13315 1/20 0.37
OGA O60502 1/20 0.36
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA7 P36544 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL9873249 0.97 ALDH1A1 (0.42) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL9873855 0.97 ALDH1A1 (0.42) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL66816 0.89 ATM (0.39) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL9871837 0.89 ATM (0.39) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL3815673 0.82 SSTR4 (0.39) KDM4EALDH1A1SSTR4CHRNB2CHRNA4
SCHEMBL10438929 0.79 GAA (0.43) SSTR4
SCHEMBL9872657 0.79 GAA (0.43) SSTR4
SCHEMBL27782957 0.78 PSEN1 (0.46) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL7735033 0.78 PSEN1 (0.46) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL14544523 0.78 PSEN1 (0.42) KDM4EALDH1A1PSEN1PSEN2APH1B

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-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US disclosed