SCHEMBL7287356

SCHEMBL7287356

Cc1ccc(CC2(O)CCN(CCCO)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.60
GRIN3B O60391 7/20 0.60
GRIN1 Q05586 7/20 0.60
GRIN2A Q12879 7/20 0.60
GRIN2B Q13224 7/20 0.60
GRIN2C Q14957 7/20 0.60
GRIN3A Q8TCU5 7/20 0.60
MAPT P10636 1/20 0.60
ADRA1A P35348 6/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1B P35368 4/20 0.54
HRH1 P35367 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7287443 0.91 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7246663 0.85 OPRM1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21651971 0.81 GRIN2B (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6974388 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7294433 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13231735 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13211774 0.80 DRD2 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13211760 0.78 GRIN2B (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27441755 0.77 GRIN2B (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18911954 0.77 GRIN2B (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120154-C 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2003-09-03 CN disclosed
EP-0824098-B1 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP disclosed