SCHEMBL6409808

SCHEMBL6409808

CCSCCNC(=O)OC1=NOC2(CCN(S(=O)(=O)CC34CCC(CC3=O)C4(C)C)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
CXCR3 P49682 3/20 0.42

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
SCHEMBL2400943 0.87 KDM4E (0.50) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6410169 0.85 KDM4E (0.59) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6410166 0.77 KDM4E (0.62) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6411323 0.77 GAA (0.35) MEN1KMT2A
SCHEMBL2400849 0.76 MEN1 (0.53) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29040265 0.70 SMN1; SMN2 (0.82) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL11623286 0.70 SMN1; SMN2 (0.82) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7756182 0.68 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6667166 0.68 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL1298199 0.67 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1

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 2 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-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