SCHEMBL7330165

SCHEMBL7330165

C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.67
GRIN1 Q05586 4/20 0.67
GRIN2D O15399 3/20 0.67
GRIN2A Q12879 3/20 0.67
GRIN2C Q14957 3/20 0.67
GRIN3B O60391 2/20 0.67
CYP2D6 P10635 2/20 0.67
KCNH2 Q12809 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
ADRA2A P08913 5/20 0.61
HTR2A P28223 5/20 0.61
ADRA1A P35348 5/20 0.61
HTR2B P41595 4/20 0.61
SIGMAR1 Q99720 3/20 0.61
HTR1A P08908 2/20 0.61
SLC6A4 P31645 2/20 0.61
OPRK1 P41145 2/20 0.61
LMNA P02545 1/20 0.61
ADRB1 P08588 1/20 0.61
DRD2 P14416 1/20 0.61

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
SCHEMBL7330989 1.00 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330161 1.00 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL8601751 0.93 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7331087 0.93 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7331082 0.93 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7334600 0.89 SLC6A4 (0.63) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7328785 0.89 SLC6A4 (0.57) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7334592 0.89 SLC6A4 (0.63) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7328780 0.89 SLC6A4 (0.57) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330115 0.88 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3005478-A None JP disclosed
US-5710168-A 2-piperidino-1-alkanol derivatives as neuroprotective agents PFIZER INC. (US) 1998-01-20 US disclosed
US-5527912-A USEFUL INTREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1996-06-18 US disclosed
US-5391742-A Intermediates for 2-piperidino-1-alkanols PFIZER INC. (US) 1995-02-21 US disclosed
US-5338754-A 2-pyrrolidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1994-08-16 US disclosed
US-5272160-A 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1993-12-21 US disclosed
US-5185343-A NORTROPYL-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1993-02-09 US disclosed
JP-H035478-A 2-PYPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENT PFIZER INC 1991-01-11 JP disclosed
WO-1990014087-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
WO-1990014088-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed