SCHEMBL9871837

SCHEMBL9871837

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
OGA O60502 1/20 0.38
CHRNB2 P17787 6/20 0.37
CHRNA4 P43681 6/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRNA7 P36544 4/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33

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
SCHEMBL66816 1.00 ATM (0.39) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9873249 0.89 ALDH1A1 (0.42) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9874618 0.89 KDM4E (0.39) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9873855 0.89 ALDH1A1 (0.42) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL2416817 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL5649655 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL16481442 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL9874318 0.81 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL66931 0.77 BTK (0.39) TLR9TLR8TLR7CYP2C9
SCHEMBL14367716 0.77 BTK (0.39) TLR9TLR8TLR7CYP2C9

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