SCHEMBL7289795

SCHEMBL7289795

COc1ccc(CC2(O)CCN(C(C)COc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
OPRL1 P41146 3/20 0.51
DRD3 P35462 1/20 0.47
SLC6A4 P31645 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
MAPT P10636 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL7295960 0.81 GRIN2D (0.65) MEN1KMT2ADRD3RAB9AGRIN2B
SCHEMBL7288263 0.81 GRIN2B (0.65) GAAMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL7295429 0.80 GRIN2B (0.64) GAAMEN1KMT2AOPRM1OPRD1
SCHEMBL7332146 0.79 SLC6A4 (0.56) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL7332152 0.79 SLC6A4 (0.56) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL7331271 0.78 GRIN2B (0.55) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL9131979 0.78 GRIN2B (0.55) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL8486097 0.78 GRIN2B (0.45) GAAMEN1KMT2AOPRM1OPRD1
SCHEMBL7289790 0.76 TSHR (0.70) GAAMEN1KMT2APOLBTSHR
SCHEMBL7287955 0.76 TSHR (0.70) GAAMEN1KMT2APOLBTSHR

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