SCHEMBL6409402

SCHEMBL6409402

O=C(NC1CCCC1OCc1ccccc1)OC1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
CNR1 P21554 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 1/20 0.38
TACR1 P25103 2/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL2403572 0.90 KMT2A (0.41) KMT2AMEN1CNR1LMNASMN1; SMN2
SCHEMBL6411302 0.88 P2RX7 (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6410443 0.87 MEN1 (0.41) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6409613 0.85 KCNA5 (0.48) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6411506 0.84 P2RX7 (0.41) ALDH1A1P2RX7
SCHEMBL6413448 0.83 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL6411720 0.83 P2RX7 (0.40) KMT2AMEN1ALDH1A1P2RX7
SCHEMBL6410884 0.82 LMNA (0.44) LMNASMN1; SMN2L3MBTL1P2RX7
SCHEMBL6409450 0.79 KMT2A (0.46) KMT2AMEN1CNR1LMNAGAA
SCHEMBL6411436 0.79 GAA (0.50) KMT2AMEN1CNR1LMNASMN1; SMN2

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 4 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
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