SCHEMBL9874318

SCHEMBL9874318

CCC(=O)NC1CCC2CNCC21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.39
CHRNA4 P43681 8/20 0.39
CHRNB4 P30926 7/20 0.39
CHRNA3 P32297 7/20 0.39
CHRNA7 P36544 6/20 0.39
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.30

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 0.81 ATM (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9871837 0.81 ATM (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5649655 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2416817 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16481442 0.77 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL617239 0.76 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10263914 0.76 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16853213 0.74 TRPV1 (0.40) SIGMAR1MTNR1AMTNR1BEPHX2
SCHEMBL14367716 0.73 BTK (0.39) TLR9TLR8TLR7EPHX2
SCHEMBL66931 0.73 BTK (0.39) TLR9TLR8TLR7EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US claimed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP claimed
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US disclosed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP disclosed