SCHEMBL8601751

SCHEMBL8601751

C[C@@H](C(O)c1ccc(O)cc1)N1CCC(O)(Cc2ccccc2)C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.61
GRIN1 Q05586 4/20 0.61
GRIN2D O15399 3/20 0.61
GRIN2A Q12879 3/20 0.61
GRIN2C Q14957 3/20 0.61
GRIN3B O60391 2/20 0.61
CYP2D6 P10635 2/20 0.61
KCNH2 Q12809 2/20 0.61
GRIN3A Q8TCU5 2/20 0.61
ADRA2A P08913 5/20 0.56
HTR2A P28223 5/20 0.56
ADRA1A P35348 5/20 0.56
HTR2B P41595 4/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 2/20 0.56
OPRK1 P41145 2/20 0.56
SLC6A4 P31645 2/20 0.56
LMNA P02545 1/20 0.56
ADRB1 P08588 1/20 0.56
DRD2 P14416 1/20 0.56

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
SCHEMBL7331087 1.00 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7331082 1.00 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330161 0.93 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330165 0.93 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330989 0.93 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330115 0.83 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7330106 0.83 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL8603728 0.83 GRIN2B (0.71) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7334600 0.82 SLC6A4 (0.63) GRIN2BGRIN1GRIN2DGRIN2AGRIN2C
SCHEMBL7328785 0.82 SLC6A4 (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 1 patent. 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