SCHEMBL7082246

SCHEMBL7082246

CC(C(O)c1cc(F)c(O)c(F)c1)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.69
KCNH2 Q12809 8/20 0.59
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GRIN3A Q8TCU5 1/20 0.59
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51

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
SCHEMBL7946835 1.00 CYP2D6 (0.69) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7081933 1.00 CYP2D6 (0.69) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7946766 0.93 CYP2D6 (0.61) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7946764 0.93 CYP2D6 (0.61) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7081484 0.91 CYP2D6 (0.63) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7948875 0.91 CYP2D6 (0.63) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL7081488 0.91 CYP2D6 (0.63) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL6962719 0.89 CYP2D6 (0.69) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL8810285 0.89 CYP2D6 (0.69) CYP2D6KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL6962724 0.89 CYP2D6 (0.69) CYP2D6KCNH2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777652-B1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER (US) 2003-06-25 EP disclosed
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
US-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed
EP-0828513-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0777652-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed
WO-1996006081-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1996-02-29 WO disclosed