SCHEMBL6413448

SCHEMBL6413448

O=C(NC1CCCC1OCc1ccccc1)OC1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 1/20 0.38
PKM P14618 2/20 0.38
EPHX2 P34913 1/20 0.37
PTGES O14684 3/20 0.37
PTGS2 P35354 3/20 0.37

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
SCHEMBL6410884 0.89 LMNA (0.44) MAPK1TSHRSMN1; SMN2P2RX7PTGES
SCHEMBL2579252 0.88 ALDH1A1 (0.43) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL6411506 0.86 P2RX7 (0.41) ALDH1A1MAPK1MAPTP2RX7PTGES
SCHEMBL6410443 0.86 MEN1 (0.41) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL6411302 0.86 P2RX7 (0.40) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL6411720 0.85 P2RX7 (0.40) ALDH1A1MAPK1MEN1KMT2AP2RX7
SCHEMBL6409613 0.85 KCNA5 (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL6409402 0.83 KMT2A (0.42) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6411568 0.81 MAPT (0.50) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL2400337 0.77 LMNA (0.45) MAPK1TSHRSMN1; SMN2P2RX7PTGES

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