SCHEMBL6410682

SCHEMBL6410682

CN(C)c1cccc(C(=O)N2CCC3(CC2)CC(OC(=O)NCCC#N)=NO3)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.39
ABL1 P00519 5/20 0.39
BCR P11274 5/20 0.39
HSD11B1 P28845 1/20 0.39
HTR1A P08908 2/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
KDM4E B2RXH2 3/20 0.36
NAMPT P43490 2/20 0.35
GAA P10253 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
SCHEMBL2577788 0.86 LMNA (0.43) MAPTSCN5ASCN9ALMNAABL1
SCHEMBL6418199 0.84 MAPT (0.48) MAPTSCN5ASCN9ALMNAABL1
SCHEMBL6411364 0.76 ALDH1A1 (0.46) LMNAJAK2JAK1KDM4EGAA
SCHEMBL6415231 0.75 MAPT (0.49) MAPTSCN5ASCN9ALMNAABL1
SCHEMBL6411592 0.71 POLB (0.41) MAPTLMNAHTR1AJAK2JAK1
SCHEMBL6413167 0.70 FPR3 (0.37) MAPTLMNAGAA
SCHEMBL6416570 0.70 PKM (0.47) HSD11B1JAK2JAK1KDM4E
SCHEMBL6433302 0.69 NPC1 (0.43) LMNAHTR1A
SCHEMBL2400087 0.69 MAPT (0.52) MAPTSCN5ASCN9ALMNAABL1
SCHEMBL6409721 0.69 CYP2D6 (0.36) SCN5ASCN9ALMNAGAA

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