SCHEMBL6918366

SCHEMBL6918366

C[C@H](C(O)c1ccc(O)cc1)N1CCC(O)(c2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.71
GRIN2B Q13224 3/20 0.71
KCNH2 Q12809 2/20 0.71
GRIN2D O15399 1/20 0.71
GRIN3B O60391 1/20 0.71
GRIN1 Q05586 1/20 0.71
GRIN2A Q12879 1/20 0.71
GRIN2C Q14957 1/20 0.71
GRIN3A Q8TCU5 1/20 0.71

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
SCHEMBL7940044 1.00 CYP2D6 (0.71) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL6811671 1.00 CYP2D6 (0.71) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL6702711 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL6800343 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL8337144 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL5517640 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL4248 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
Traxoprodil SCHEMBL5888841 0.83 GRIN2B (1.00) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7077436 0.83 KCNH2 (0.50) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7948894 0.83 KCNH2 (0.50) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B

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-0828513-B1 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER (US) 2004-01-21 EP disclosed
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
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