SCHEMBL2939186

SCHEMBL2939186

O=C(O)CCC(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
SIGMAR1 Q99720 2/20 0.40
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.36
USP19 O94966 1/20 0.36
DPP4 P27487 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
CXCR3 P49682 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1800386 0.90 NPC1 (0.41) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL3923623 0.89 ATM (0.44) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL3918988 0.87 ATM (0.43) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL1803348 0.86 GRM5 (0.43) ATMSIGMAR1RIPK1ALDH1A1KMT2A
SCHEMBL5151456 0.84 CYP2C9 (0.44) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL4032393 0.84 SIGMAR1 (0.39) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL1799713 0.84 RIPK1 (0.46) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL4032741 0.83 ATM (0.44) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL4038603 0.83 ATM (0.42) ATMSIGMAR1RIPK1KDM4EALDH1A1
SCHEMBL3927356 0.81 LMNA (0.47) ATMSIGMAR1KDM4EALDH1A1KMT2A

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 8 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
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 disclosed
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 disclosed