SCHEMBL6415824

SCHEMBL6415824

CC(C)(C)OC(=O)ON1CCC2(CC1)CC(C(=O)NCc1ccccc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 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
SCHEMBL1457205 0.91 GPR119 (0.41) LMNAGPR119KMT2ANPSR1MAPT
SCHEMBL1457246 0.89 GPR119 (0.42) LMNAGPR119KMT2ANPSR1MAPT
SCHEMBL2400325 0.87 GPR119 (0.54) LMNAGPR119TDP1TP53KEAP1
SCHEMBL1457708 0.86 ALDH1A1 (0.43) LMNAGPR119TP53KMT2AALDH1A1
SCHEMBL1457426 0.84 GPR119 (0.41) LMNAGPR119KMT2AALDH1A1MAPT
SCHEMBL1457204 0.84 TRPV1 (0.40) GPR119ALDH1A1
SCHEMBL7035709 0.81 MERTK (0.42)
SCHEMBL6409298 0.81 MERTK (0.42)
SCHEMBL5059048 0.81 SCN1A (0.36) LMNAGPR119TP53KMT2AALDH1A1
SCHEMBL2403257 0.80 GPR119 (0.42) LMNAGPR119TDP1TP53KEAP1

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 3 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 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