SCHEMBL2937116

SCHEMBL2937116

CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)/C=C/c1ccccc1Cl)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
F2R P25116 2/20 0.47
POLB P06746 3/20 0.46
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
RAB9A P51151 3/20 0.39
GPR183 P32249 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL1800437 1.00 MAPT (0.50) MAPTL3MBTL1F2RPOLBLMNA
SCHEMBL3917588 0.79 PLA2G10 (0.39) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL4041207 0.77 PLA2G10 (0.38) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL2938720 0.77 LMNA (0.55) MAPTPOLBLMNAALDH1A1MEN1
SCHEMBL1800991 0.77 LMNA (0.55) MAPTPOLBLMNAALDH1A1MEN1
SCHEMBL1801279 0.77 ALDH1A1 (0.39) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL1801936 0.77 FAAH (0.41) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL1802871 0.76 CCR5 (0.37) ALDH1A1HTTSMN1; SMN2
SCHEMBL1803812 0.76 SMN1; SMN2 (0.46) L3MBTL1MEN1KMT2AGRIN2BRAB9A
SCHEMBL1802463 0.75 MEN1 (0.50) L3MBTL1POLBLMNAALDH1A1MEN1

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-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed