SCHEMBL5505080

SCHEMBL5505080

O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.59
GRIN2A Q12879 4/20 0.59
GRIN1 Q05586 4/20 0.59
GRIN2D O15399 3/20 0.59
GRIN3B O60391 3/20 0.59
ADRA1D P25100 3/20 0.59
ADRA1A P35348 3/20 0.59
ADRA1B P35368 3/20 0.59
GRIN2C Q14957 3/20 0.59
GRIN3A Q8TCU5 3/20 0.59
CCR3 P51677 2/20 0.55
SIGMAR1 Q99720 1/20 0.54
PRMT3 O60678 1/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT1 Q99873 1/20 0.53
PRMT8 Q9NR22 1/20 0.53

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
Hydrochloric Acid SCHEMBL5974096 0.99 GRIN2B (0.58) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL7367603 0.88 MAPK1 (0.57) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL7395591 0.82 CCR3 (0.55) GRIN2BGRIN2ACCR3SIGMAR1PRMT3
SCHEMBL5047712 0.82 MMP2 (0.44) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL5505396 0.82 MMP2 (0.44) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL5047717 0.82 MMP2 (0.44) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL24069354 0.82 PRMT6 (0.56) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL15423952 0.80 MEN1 (0.76) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL4632689 0.80 CARM1 (0.53) CCR3SIGMAR1PRMT3CARM1PRMT6
SCHEMBL25758336 0.80 MEN1 (0.62) CCR3SIGMAR1PRMT3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP claimed
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 EP claimed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US claimed
CN-1142141-C Ethanesulfonyl-piperidine derivatives - 2004-03-17 CN claimed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP claimed
CN-1354745-A Ethanesulfonyl-piperidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-19 CN claimed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO claimed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP claimed
US-6310213-B1 GOOD AFFITITY TO THE NMDA RECEPTOR AND THEY ARE THEREFORE USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2001-10-30 US claimed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO claimed
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP disclosed
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US disclosed
CN-1142141-C Ethanesulfonyl-piperidine derivatives - 2004-03-17 CN disclosed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP disclosed
CN-1354745-A Ethanesulfonyl-piperidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-19 CN disclosed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO disclosed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
US-6310213-B1 GOOD AFFITITY TO THE NMDA RECEPTOR AND THEY ARE THEREFORE USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO disclosed