SCHEMBL4035369

SCHEMBL4035369

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 10/20 0.36
CACNA1G O43497 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CXCR3 P49682 1/20 0.32
RIPK1 Q13546 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4034816 0.92 GAA (0.34) GAAKMT2ACCR5CACNA1GMAPT
SCHEMBL4038792 0.88 CHRM3 (0.38) GAAKMT2A
SCHEMBL4037470 0.87 GAA (0.44) GAAKMT2ACCR5CACNA1GTSHR
SCHEMBL4035139 0.87 GAA (0.43) GAAKMT2ACCR5CACNA1GTSHR
SCHEMBL4032369 0.86 GAA (0.32) GAAKMT2ATSHRMAPTALDH1A1
SCHEMBL3918968 0.85 GAA (0.46) GAAKMT2ACCR5CACNA1GTSHR
SCHEMBL4042277 0.83 CCR5 (0.33) CCR5
SCHEMBL3925963 0.82 GAA (0.47) GAAKMT2ACCR5CACNA1GTSHR
SCHEMBL4037127 0.82 HDAC8 (0.33) MAPTALDH1A1HTT
SCHEMBL4037819 0.82 CCR5 (0.38) CCR5ALDH1A1

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