SCHEMBL6410922

SCHEMBL6410922

Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)CC(OC(=O)NCCN(C)C)=NO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6414941 0.90 TP53 (0.38) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6411508 0.88 L3MBTL1 (0.45) POLBLMNAGAAMAPTSMN1; SMN2
SCHEMBL2404658 0.86 POLB (0.41) POLBTP53LMNAGAAMAPT
SCHEMBL6411317 0.84 TP53 (0.41) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL6411653 0.83 ALDH1A1 (0.50) POLBTP53LMNAMAPTSMN1; SMN2
SCHEMBL6411481 0.83 POLB (0.44) POLBTP53GAAALDH1A1KDM4E
SCHEMBL6409957 0.82 KMT2A (0.45) POLBGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6409984 0.76 SMN1; SMN2 (0.46) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2402246 0.76 TP53 (0.41) POLBTP53LMNAMAPTSMN1; SMN2
SCHEMBL6409917 0.74 EPHX2 (0.38) GAAALDH1A1CYP2D6

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