SCHEMBL6410948

SCHEMBL6410948

CC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(OC(=O)NCc1ccccc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 1/20 0.39
PARP1 P09874 3/20 0.39
ACHE P22303 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
THRB P10828 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
SCHEMBL6410275 0.88 ALOX15 (0.40) ALOX15HSD17B10MEN1KMT2AAPOBEC3A
SCHEMBL2400339 0.85 ALOX15 (0.42) NPC1RAB9AALOX15HSD17B10TTR
SCHEMBL6410103 0.85 CYP2D6 (0.42) ALOX15HSD17B10ACHEMEN1KMT2A
SCHEMBL6410565 0.80 CYP2D6 (0.51) HSD17B10MEN1KMT2A
SCHEMBL6409843 0.80 CYP3A4 (0.47) MEN1KMT2A
SCHEMBL6410969 0.79 GRM5 (0.45) KMT2A
SCHEMBL6409864 0.78 KMT2A (0.43) NPC1RAB9AKMT2A
SCHEMBL6409532 0.78 CYP2D6 (0.40) ACHEKMT2A
SCHEMBL1457432 0.78 MEN1 (0.45) MEN1KMT2A
SCHEMBL6410188 0.77 MEN1 (0.45) NPC1RAB9AHSD17B10ACHEMEN1

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