SCHEMBL6431599

SCHEMBL6431599

CC(NC(=O)OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
GAA P10253 2/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.38
HCRTR1 O43613 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PKM P14618 1/20 0.37
CNR1 P21554 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
EIF4H Q15056 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
SCHEMBL2400043 0.88 USP2 (0.42) USP2GAAKDM1ALMNAGALR3
SCHEMBL6433020 0.85 KMT2A (0.49) GAALMNAHCRTR1MAPTSMN1; SMN2
SCHEMBL6417412 0.76 ATM (0.51) USP2GAAMAPTSMN1; SMN2PKM
SCHEMBL6410171 0.73 L3MBTL1 (0.44) GAALMNARAB9AMAPTSMN1; SMN2
SCHEMBL2402064 0.73 MAPT (0.49) USP2GAALMNAMAPTSMN1; SMN2
SCHEMBL6409740 0.72 LIPE (0.45) GAALMNARAB9AMAPTSMN1; SMN2
SCHEMBL6409954 0.70 ADRB2 (0.42) GAALMNAMAPTSMN1; SMN2MEN1
SCHEMBL6409465 0.70 ATM (0.37) LMNAMAPTPKMALDH1A1MEN1
SCHEMBL6412249 0.69 JAK2 (0.43) GAASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL6410158 0.69 OPRM1 (0.43) GAALMNAMAPTSMN1; SMN2ALDH1A1

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