SCHEMBL9561877

SCHEMBL9561877

O=C1CCc2cc(C(O)CN3CCC(CCc4ccc(C(F)(F)F)cc4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
GRIN2B Q13224 3/20 0.50
KIF11 P52732 4/20 0.45
MAOB P27338 1/20 0.44
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
AKT1 P31749 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
SCHEMBL9562529 0.92 KCNH2 (0.57) KCNH2GRIN2BMAOBBCHEACHE
SCHEMBL9562489 0.90 KCNH2 (0.51) KCNH2GRIN2BMAOBBCHEACHE
SCHEMBL466863 0.90 GRIN2B (0.61) KCNH2GRIN2BMAOBBCHEACHE
SCHEMBL9562497 0.88 KCNH2 (0.57) KCNH2GRIN2BBCHEACHEHTR1A
SCHEMBL9562478 0.84 GRIN2B (0.60) KCNH2GRIN2BMAOBBCHEACHE
SCHEMBL8439768 0.82 KCNH2 (0.54) KCNH2GRIN2BHTR1ADRD2HTR2A
SCHEMBL8301971 0.79 KCNH2 (0.52) KCNH2GRIN2BHTR1ADRD2HTR2A
SCHEMBL9562383 0.78 GMNN (0.44) KCNH2GRIN2BMAOBHTR2ATSHR
SCHEMBL9561894 0.76 BCHE (0.50) KCNH2GRIN2BMAOBBCHEACHE
SCHEMBL9562326 0.76 KCNH2 (0.56) KCNH2GRIN2BHTR1ADRD2HTR2A

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 5 patents. 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 claimed
JP-5186460-A None JP disclosed
US-5236887-A HERBICIDAL HETEROCYCLIC SULFONYLUREA COMPOSITIONS SAFENED BY HERBICIDAL ACIDS SUCH AS 2,4-D BELOW A PH OF 5 DOWELANCO (US) 1993-08-17 US disclosed
JP-H05186460-A 2-(1-PIPERIDYL)ETHANOL DERIVATIVE, ITS PREPARATION AND APPLICATION FOR THERAPY SYNTHELABO SA 1993-07-27 JP disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 EP disclosed