SCHEMBL17004288

SCHEMBL17004288

c1cc(-c2cncc(OC3C4CC5CC3CN(C5)C4)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNB4 P30926 7/20 0.32
CHRNA3 P32297 7/20 0.32
AKT1 P31749 1/20 0.32
CHRNA7 P36544 3/20 0.32
MAP4K4 O95819 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MGLL Q99685 1/20 0.31
CHRNB1 P11230 2/20 0.31
CHRNB3 Q05901 2/20 0.31

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
SCHEMBL17004298 0.88 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17004200 0.87 CHRNB4 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17004344 0.82 FDPS (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17004327 0.81 MKNK1 (0.40) GSK3BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17004272 0.79 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL17004218 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17004290 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17004336 0.79 GRIN1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1840064 0.77 CHRNB4 (0.37) GSK3BCHRNB4CHRNA3MAP4K4MKNK1
SCHEMBL17004220 0.77 CHRNB2 (0.36) FLT3GSK3BCHRNB2CHRNA4CHRNB4

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
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed