SCHEMBL6411301

SCHEMBL6411301

CCOC(=O)ON1CCC(NC(=O)C2=NOC3(CCN(C(=O)c4ccc(Br)cc4)CC3)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
IDO1 P14902 2/20 0.37
EPHX2 P34913 1/20 0.37
CCR5 P51681 6/20 0.37
LMNA P02545 2/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2400257 0.91 PLG (0.45) SMN1; SMN2IDO1PLGPRSS1PRSS2
SCHEMBL6410853 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL6411672 0.83 L3MBTL1 (0.37) SMN1; SMN2EPHX2LMNAALDH1A1KDM4E
SCHEMBL6409543 0.80 HRH3 (0.39) SMN1; SMN2EPHX2ALDH1A1KDM4EHSD17B10
SCHEMBL2404743 0.75 PKM (0.42) SMN1; SMN2LMNA
SCHEMBL2399891 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL6410200 0.74 KDM4E (0.44) SMN1; SMN2LMNAALDH1A1CYP2C19KDM4E
SCHEMBL6412521 0.73 EPHX2 (0.47) SMN1; SMN2EPHX2LMNAALDH1A1KDM4E
SCHEMBL2402983 0.73 L3MBTL1 (0.46) SMN1; SMN2EPHX2LMNAPLGPRSS1
SCHEMBL2402430 0.72 HPGD (0.49) SMN1; SMN2LMNA

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