SCHEMBL9562508

SCHEMBL9562508

O=C1CCc2cc(C(O)CN3CCC(CCc4ccccc4)CC3)cc(F)c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GRIN2B Q13224 2/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
KCNH2 Q12809 2/20 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
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CCR3 P51677 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9562383 0.93 GMNN (0.44) GRIN2BKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9562536 0.92 KCNH2 (0.48) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL8521848 0.86 KCNH2 (0.41) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL466863 0.84 GRIN2B (0.61) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL9561894 0.82 BCHE (0.50) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL7305064 0.81 CHRM2 (0.46) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL9562581 0.79 KCNH2 (0.38) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL9562478 0.79 GRIN2B (0.60) MEN1KMT2AGRIN2BBCHEACHE
SCHEMBL9562529 0.79 KCNH2 (0.57) GRIN2BBCHEACHEKCNH2SLC6A2
SCHEMBL9562497 0.77 KCNH2 (0.57) GRIN2BBCHEACHEKCNH2DRD2

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