SCHEMBL7330106

SCHEMBL7330106

CC(C(O)c1ccc(O)cc1)N1CCC(O)(CCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.71
GRIN1 Q05586 4/20 0.65
GRIN2D O15399 3/20 0.65
GRIN2A Q12879 3/20 0.65
GRIN2C Q14957 3/20 0.65
GRIN3B O60391 2/20 0.65
CYP2D6 P10635 2/20 0.65
KCNH2 Q12809 2/20 0.65
GRIN3A Q8TCU5 2/20 0.65
ADRA2A P08913 5/20 0.59
HTR2A P28223 5/20 0.59
ADRA1A P35348 5/20 0.59
HTR2B P41595 4/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR1A P08908 2/20 0.59
LMNA P02545 1/20 0.59
ADRB1 P08588 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59

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
SCHEMBL7330115 1.00 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL8603728 1.00 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7337333 0.93 GRIN2B (0.62) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL8603834 0.93 GRIN2B (0.62) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7337327 0.93 GRIN2B (0.62) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7332561 0.92 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7332566 0.92 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7328282 0.89 GRIN2B (0.57) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL8600496 0.89 GRIN2B (0.57) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7328288 0.89 GRIN2B (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1990014088-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed