SCHEMBL6415538

SCHEMBL6415538

O=C(OCc1ccccc1)ON1CCN(C(=O)C2=NOC3(CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PKM P14618 3/20 0.41
GAA P10253 2/20 0.41
TGM2 P21980 8/20 0.41
F13A1 P00488 6/20 0.41
TGM1 P22735 6/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2399286 0.91 TGM2 (0.49) ALDH1A1PKMGAATGM2F13A1
SCHEMBL2581274 0.81 F13A1 (0.46) ALDH1A1PKMGAATGM2F13A1
SCHEMBL6409630 0.76 ALDH1A1 (0.48) ALDH1A1PKMGAALMNAHTT
SCHEMBL2400362 0.76 GAA (0.65) ALDH1A1PKMGAALMNASMN1; SMN2
SCHEMBL2402487 0.75 KDM4E (0.50) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL6412015 0.74 ALDH1A1 (0.51) ALDH1A1PKMGAALMNAL3MBTL1
SCHEMBL2400977 0.73 ALDH1A1 (0.48) ALDH1A1PKMGAATGM2LMNA
SCHEMBL2400825 0.73 POLB (0.41) ALDH1A1SMN1; SMN2
SCHEMBL2402061 0.73 KMT2A (0.45) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL6410874 0.71 PKM (0.46) ALDH1A1PKMGAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed