SCHEMBL9561894

SCHEMBL9561894

O=C1CCc2cc(C(O)CN3CCC(CCc4ccccc4)CC3)c(F)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
GRIN2B Q13224 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KCNH2 Q12809 2/20 0.42
CCR3 P51677 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OGT O15294 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL466863 0.84 GRIN2B (0.61) BCHEACHEGRIN2BMAOAMAOB
SCHEMBL9562508 0.82 MEN1 (0.44) BCHEACHEGRIN2BMAOAMAOB
SCHEMBL7305064 0.81 CHRM2 (0.46) BCHEACHEGRIN2BMAOAMAOB
SCHEMBL9562529 0.79 KCNH2 (0.57) BCHEACHEGRIN2BMAOBKCNH2
SCHEMBL9562478 0.79 GRIN2B (0.60) BCHEACHEGRIN2BMAOAMAOB
SCHEMBL9562497 0.77 KCNH2 (0.57) BCHEACHEGRIN2BKCNH2DRD2
SCHEMBL9561877 0.76 KCNH2 (0.52) BCHEACHEGRIN2BMAOBKCNH2
SCHEMBL9562489 0.75 KCNH2 (0.51) BCHEACHEGRIN2BMAOBKCNH2
SCHEMBL466903 0.75 DRD2 (0.57) BCHEACHEMAOAMAOBKCNH2
SCHEMBL9562383 0.74 GMNN (0.44) GRIN2BMAOBKCNH2SLC6A2SLC6A4

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-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 EP disclosed