SCHEMBL6414941

SCHEMBL6414941

CC(=O)NCCNC(=O)OC1=NOC2(CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MITF O75030 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6410922 0.90 POLB (0.38) TP53LMNARAB9ANPC1MAPT
SCHEMBL6411653 0.86 ALDH1A1 (0.50) TP53LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2402246 0.85 TP53 (0.41) TP53LMNARAB9ANPC1MAPT
SCHEMBL6411317 0.85 TP53 (0.41) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6411508 0.78 L3MBTL1 (0.45) LMNARAB9AMAPTSMN1; SMN2HTT
SCHEMBL6409984 0.77 SMN1; SMN2 (0.46) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2404658 0.76 POLB (0.41) TP53LMNARAB9ANPC1MAPT
SCHEMBL2585376 0.74 ALDH1A1 (0.56) TP53LMNASMN1; SMN2MAPK1KDM4E
SCHEMBL6413110 0.73 ALDH1A1 (0.44) LMNARAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6411660 0.73 PKM (0.51) NPC1MAPTSMN1; SMN2ALDH1A1MEN1

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