SCHEMBL4035139

SCHEMBL4035139

CSCCC1NC2(CCN(OC(=O)O)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.38
CCR5 P51681 6/20 0.37
CACNA1G O43497 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CXCR3 P49682 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL4035046 0.92 GAA (0.35) GAAKMT2ACCR5CACNA1GALDH1A1
SCHEMBL4046162 0.90 MCHR1 (0.38) GAAKMT2ASIGMAR1
SCHEMBL4037623 0.89 KMT2A (0.40) GAAKMT2ATSHRCCR5CACNA1G
SCHEMBL2943021 0.89 KMT2A (0.40) GAAKMT2ATSHRCCR5CACNA1G
SCHEMBL4037652 0.88 CHRM3 (0.41) GAAKMT2AOPRM1
SCHEMBL3918968 0.87 GAA (0.46) GAAKMT2ATSHRCCR5CACNA1G
SCHEMBL4035369 0.87 GAA (0.42) GAAKMT2ATSHRCCR5CACNA1G
SCHEMBL4036440 0.86 TSHR (0.34) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL4037470 0.85 GAA (0.44) GAAKMT2ATSHRCCR5CACNA1G
SCHEMBL3925963 0.84 GAA (0.47) GAAKMT2ATSHRCCR5CACNA1G

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-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO disclosed