SCHEMBL7294333

SCHEMBL7294333

Cc1ccc(CC2(O)CCN(CC(O)COc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
RAB9A P51151 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
GRIN2D O15399 5/20 0.59
GRIN3B O60391 5/20 0.59
GRIN1 Q05586 5/20 0.59
GRIN2A Q12879 5/20 0.59
GRIN2B Q13224 5/20 0.59
GRIN2C Q14957 5/20 0.59
GRIN3A Q8TCU5 5/20 0.59
ADRA1A P35348 4/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1B P35368 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
USP2 O75604 1/20 0.58
MAPT P10636 3/20 0.57
PRMT5 O14744 2/20 0.54

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
SCHEMBL7287792 0.94 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7289790 0.94 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7287955 0.94 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7295985 0.90 TSHR (0.62) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7290028 0.89 GRIN2B (0.73) TSHRKMT2AGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL7294297 0.89 GRIN2B (0.72) TSHRKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7295801 0.87 GRIN2D (0.71) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7295806 0.87 GRIN2D (0.71) TSHRRAB9AHSD17B10GAAKMT2A
Hydrochloric Acid SCHEMBL7285102 0.86 GRIN2D (0.69) TSHRRAB9AHSD17B10GAAKMT2A
Hydrochloric Acid SCHEMBL7290601 0.86 GRIN2D (0.69) TSHRRAB9AHSD17B10GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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